6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine

C22H34N4 — CID 70903809

IUPAC6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine
SMILESC/C(N)=C/C(CC(C)C)C1=CC2C=CN=CC2C(NC2CCNCC2)=C1
InChIInChI=1S/C22H34N4/c1-15(2)10-18(11-16(3)23)19-12-17-4-7-25-14-21(17)22(13-19)26-20-5-8-24-9-6-20/h4,7,11-15,17-18,20-21,24,26H,5-6,8-10,23H2,1-3H3/b16-11-
InChIKeyHCBNZSBZICRBDQ-WJDWOHSUSA-N
MW354.54 g/mol
LogP3.51
Rot. Bonds6

About 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine

6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine (PubChem CID 70903809) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine
PubChem CID70903809
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine
SMILESC/C(N)=C/C(CC(C)C)C1=CC2C=CN=CC2C(NC2CCNCC2)=C1
InChIInChI=1S/C22H34N4/c1-15(2)10-18(11-16(3)23)19-12-17-4-7-25-14-21(17)22(13-19)26-20-5-8-24-9-6-20/h4,7,11-15,17-18,20-21,24,26H,5-6,8-10,23H2,1-3H3/b16-11-
InChIKeyHCBNZSBZICRBDQ-WJDWOHSUSA-N
XLogP3.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine with MolForge

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Related Compounds

6-Fluoro-3-[8-(piperidin-4-ylamino)-4a,8a-dihydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903849
6-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903858
6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904129
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085330
6-(6-fluoro-3,4-dihydropyridin-4-yl)-N-(1-sulfanylpiperidin-4-yl)-4a,8a-dihydroisoquinolin-8-amine
CID 89738468
2-Fluoro-6-methyl-5-[1-methyl-8-(piperidin-4-ylamino)-1,8a-dihydroisoquinolin-6-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 143967918
6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 143968035
7-(6-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-5-N-piperidin-4-yl-3-N-propan-2-yl-6,7-dihydroisoquinoline-3,5-diamine
CID 156342245
2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
CID 163826234
6-[5-(1-fluoro-2-methylprop-2-enyl)-3,4-dihydropyrrol-1-ium-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 163867619
(8aS)-N,N-diethyl-2-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-3,4,4a,5,8,8a-hexahydro-1H-quinolin-6-amine
CID 173518247
1,5,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 20355874

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine (CID 70903809) is 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine is C/C(N)=C/C(CC(C)C)C1=CC2C=CN=CC2C(NC2CCNCC2)=C1.
What is the InChIKey of 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine?
The InChIKey is HCBNZSBZICRBDQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C22H34N4/c1-15(2)10-18(11-16(3)23)19-12-17-4-7-25-14-21(17)22(13-19)26-20-5-8-24-9-6-20/h4,7,11-15,17-18,20-21,24,26H,5-6,8-10,23H2,1-3H3/b16-11-.
What are the key properties of 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine?
6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine has a molecular weight of 354.54 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-amino-6-methylhept-2-en-4-yl]-N-piperidin-4-yl-4a,8a-dihydroisoquinolin-8-amine is sourced from PubChem (CID 70903809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).