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

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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).