[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine

C14H20N2 — CID 123613652

IUPAC[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine
SMILESNCC1CC=C(C2=NC=CC=CC2)CCC1
InChIInChI=1S/C14H20N2/c15-11-12-5-4-6-13(9-8-12)14-7-2-1-3-10-16-14/h1-3,9-10,12H,4-8,11,15H2
InChIKeyVSGVKTJBSUOOAN-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.98
Rot. Bonds2

About [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine

[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine (PubChem CID 123613652) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine
PubChem CID123613652
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine
SMILESNCC1CC=C(C2=NC=CC=CC2)CCC1
InChIInChI=1S/C14H20N2/c15-11-12-5-4-6-13(9-8-12)14-7-2-1-3-10-16-14/h1-3,9-10,12H,4-8,11,15H2
InChIKeyVSGVKTJBSUOOAN-UHFFFAOYSA-N
XLogP2.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
CID 145431752
(2R)-1-[(3aR)-3aH-indol-3-yl]hexan-2-amine
CID 126421998
(2R)-1-[(3aS)-3aH-indol-3-yl]hexan-2-amine
CID 126421999
(2S)-1-[(3aR)-3aH-indol-3-yl]hexan-2-amine
CID 126422000
(2S)-1-[(3aS)-3aH-indol-3-yl]hexan-2-amine
CID 126422001
4-(4-Methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
CID 145431753
4-methyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)-4,5-dihydro-3H-azepine
CID 145609235
1-[4-(N-ethenyl-C-ethylcarbonimidoyl)cyclohex-3-en-1-yl]-N-methylmethanamine
CID 155720872

Frequently Asked Questions

What is the IUPAC name of [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine?
The IUPAC name of [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine (CID 123613652) is [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine.
What is the SMILES notation for [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine?
The canonical SMILES for [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine is NCC1CC=C(C2=NC=CC=CC2)CCC1.
What is the InChIKey of [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine?
The InChIKey is VSGVKTJBSUOOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-11-12-5-4-6-13(9-8-12)14-7-2-1-3-10-16-14/h1-3,9-10,12H,4-8,11,15H2.
What are the key properties of [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine?
[4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-azepin-2-yl)cyclohept-3-en-1-yl]methanamine is sourced from PubChem (CID 123613652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).