ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine

C19H32N2 — CID 143207349

IUPACethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine
SMILESCC.CC(C)CC(N)C1=CC=C(N2CCCCC2)C=C=C1
InChIInChI=1S/C17H26N2.C2H6/c1-14(2)13-17(18)15-7-6-8-16(10-9-15)19-11-4-3-5-12-19;1-2/h7-10,14,17H,3-5,11-13,18H2,1-2H3;1-2H3
InChIKeyZBGVKTXCUZOPIW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.41
Rot. Bonds4

About ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine

ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine (PubChem CID 143207349) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine
PubChem CID143207349
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine
SMILESCC.CC(C)CC(N)C1=CC=C(N2CCCCC2)C=C=C1
InChIInChI=1S/C17H26N2.C2H6/c1-14(2)13-17(18)15-7-6-8-16(10-9-15)19-11-4-3-5-12-19;1-2/h7-10,14,17H,3-5,11-13,18H2,1-2H3;1-2H3
InChIKeyZBGVKTXCUZOPIW-UHFFFAOYSA-N
XLogP4.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine with MolForge

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Related Compounds

1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
1-(Cyclohexen-1-yl)-3-methylpiperidin-4-amine
CID 20395866
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681
(+/-) 7-Amino-1,2-dimethyl-tetrahydroisoquinoline
CID 70154657
1,1,2-Trimethyl-3,4,4a,5-tetrahydroisoquinolin-7-amine
CID 70248514
4-(1,2-dimethylpiperidin-4-yl)-1,6-dimethyl-2H-pyridine
CID 70559432
(+/-) 7-Amino-1,2-dimethyl-tetrahydroisoquinoline mono hydrochloride
CID 86757258
N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
CID 88905238
2-N-[(E)-6-aminohex-3-en-3-yl]-2-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohex-3-ene-1,2-diamine
CID 89037631
2-ethyl-N-iodo-3,4,8,8a-tetrahydro-1H-isoquinolin-6-amine
CID 89514071

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine?
The IUPAC name of ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine (CID 143207349) is ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine.
What is the SMILES notation for ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine?
The canonical SMILES for ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine is CC.CC(C)CC(N)C1=CC=C(N2CCCCC2)C=C=C1.
What is the InChIKey of ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine?
The InChIKey is ZBGVKTXCUZOPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C2H6/c1-14(2)13-17(18)15-7-6-8-16(10-9-15)19-11-4-3-5-12-19;1-2/h7-10,14,17H,3-5,11-13,18H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine?
ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(4-piperidin-1-ylcyclohepta-1,3,5,6-tetraen-1-yl)butan-1-amine is sourced from PubChem (CID 143207349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).