(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane

C32H49N — CID 144730489

IUPAC(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane
SMILESC/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12.CCC
InChIInChI=1S/C29H41N.C3H8/c1-10-16-30-25-19-20(27(3,4)5)17-21(28(6,7)11-2)18-23-22-14-12-13-15-24(22)29(8,9)26(23)25;1-3-2/h10,12-17,19,21,30H,11,18H2,1-9H3;3H2,1-2H3/b16-10-,20-17+,25-19+;
InChIKeyPYUZDIWTEQSNHD-ICWAFRLGSA-N
MW447.75 g/mol
LogP9.58
Rot. Bonds4

About (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane

(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane (PubChem CID 144730489) has the molecular formula C32H49N and a molecular weight of 447.75 g/mol. Its IUPAC name is (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane.

Molecular Properties

Compound Name(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane
PubChem CID144730489
Molecular FormulaC32H49N
Molecular Weight447.75 g/mol
Exact Mass447.39
IUPAC Name(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane
SMILESC/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12.CCC
InChIInChI=1S/C29H41N.C3H8/c1-10-16-30-25-19-20(27(3,4)5)17-21(28(6,7)11-2)18-23-22-14-12-13-15-24(22)29(8,9)26(23)25;1-3-2/h10,12-17,19,21,30H,11,18H2,1-9H3;3H2,1-2H3/b16-10-,20-17+,25-19+;
InChIKeyPYUZDIWTEQSNHD-ICWAFRLGSA-N
XLogP9.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane with MolForge

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Related Compounds

(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine
CID 144730490
1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
CID 143620330
2-tert-butyl-8-[6-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-3a,10b-dihydropyrene
CID 123299862
2-(2-tert-butylspiro[7,10a-dihydro-4aH-benzo[a]azulene-10,9'-fluorene]-4-yl)-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-phenyl-1,3,5-triazine
CID 168908994
N-(3-methylpentan-3-yl)-9H-fluoren-9-amine
CID 106328343
2-[(1E,3E,5Z)-1-iodohepta-1,3,5-trien-4-yl]-9,9-dimethylfluorene
CID 89161500
2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
CID 164789632
N-tert-butylspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-amine
CID 71123390
(2Z)-2-ethylidene-1-(2-methylbutan-2-yl)-1,3-dihydroindene
CID 144899057
11,12,12-trimethyl-11H-indeno[2,1-a]fluorene
CID 155761835
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405

Frequently Asked Questions

What is the IUPAC name of (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane?
The IUPAC name of (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane (CID 144730489) is (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane.
What is the SMILES notation for (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane?
The canonical SMILES for (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane is C/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12.CCC.
What is the InChIKey of (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane?
The InChIKey is PYUZDIWTEQSNHD-ICWAFRLGSA-N. The full InChI is InChI=1S/C29H41N.C3H8/c1-10-16-30-25-19-20(27(3,4)5)17-21(28(6,7)11-2)18-23-22-14-12-13-15-24(22)29(8,9)26(23)25;1-3-2/h10,12-17,19,21,30H,11,18H2,1-9H3;3H2,1-2H3/b16-10-,20-17+,25-19+;.
What are the key properties of (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane?
(7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane has a molecular weight of 447.75 g/mol, XLogP of 9.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9Z)-8-tert-butyl-11,11-dimethyl-6-(2-methylbutan-2-yl)-N-[(Z)-prop-1-enyl]-5,6-dihydrocycloocta[a]inden-10-amine;propane is sourced from PubChem (CID 144730489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).