(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

C29H41N — CID 144730490

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
SMILESC/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12
InChIInChI=1S/C29H41N/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/h10,12-17,19,21,30H,11,18H2,1-9H3/b16-10-,20-17+,25-19+
InChIKeyAQUVKUHKZBSBBZ-UNYOVNQHSA-N
MW403.65 g/mol
LogP8.17
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

(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 (PubChem CID 144730490) has the molecular formula C29H41N and a molecular weight of 403.65 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.

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
PubChem CID144730490
Molecular FormulaC29H41N
Molecular Weight403.65 g/mol
Exact Mass403.32
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
SMILESC/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12
InChIInChI=1S/C29H41N/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/h10,12-17,19,21,30H,11,18H2,1-9H3/b16-10-,20-17+,25-19+
InChIKeyAQUVKUHKZBSBBZ-UNYOVNQHSA-N
XLogP8.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 58.17
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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 144730490) 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.
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?
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 is C/C=C\N/C1=C/C(C(C)(C)C)=C\C(C(C)(C)CC)CC2=C1C(C)(C)c1ccccc12.
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?
The InChIKey is AQUVKUHKZBSBBZ-UNYOVNQHSA-N. The full InChI is InChI=1S/C29H41N/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/h10,12-17,19,21,30H,11,18H2,1-9H3/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?
(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 has a molecular weight of 403.65 g/mol, XLogP of 8.17, 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 is sourced from PubChem (CID 144730490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).