2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine

C10H18N2 — CID 23378579

IUPAC2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESC=CCC1CCCCC/C(N)=N\1
InChIInChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2,(H2,11,12)
InChIKeyPJVQHJPWHBRWDQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.25
Rot. Bonds2

About 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine

2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine (PubChem CID 23378579) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine.

Molecular Properties

Compound Name2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
PubChem CID23378579
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine
SMILESC=CCC1CCCCC/C(N)=N\1
InChIInChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2,(H2,11,12)
InChIKeyPJVQHJPWHBRWDQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine
CID 10012278
hexahydro-7-(2-propenyl)-1H-azepin-2-imine, monohydrochloride
CID 17777016
7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10702801
2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18340016
N-(2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine
CID 23378576
2-but-3-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 23378577
N-[(2R)-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 59908783
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
(2S)-2-[(Z,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908787
2-[(Z)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908788
(2R)-2-[(E,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908794
(2S)-2-[(E,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908805

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The IUPAC name of 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine (CID 23378579) is 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine.
What is the SMILES notation for 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The canonical SMILES for 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine is C=CCC1CCCCC/C(N)=N\1.
What is the InChIKey of 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
The InChIKey is PJVQHJPWHBRWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-6-9-7-4-3-5-8-10(11)12-9/h2,9H,1,3-8H2,(H2,11,12).
What are the key properties of 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine?
2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine has a molecular weight of 166.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2,3,4,5,6,7-hexahydroazocin-8-amine is sourced from PubChem (CID 23378579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).