N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine

C12H22N2 — CID 70537691

IUPACN-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine
SMILESC1=CCNC(NC2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,6,11-14H,1,3-5,7-10H2
InChIKeyORMBPNYIBWKMBC-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.17
Rot. Bonds2

About N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine

N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine (PubChem CID 70537691) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine
PubChem CID70537691
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine
SMILESC1=CCNC(NC2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,6,11-14H,1,3-5,7-10H2
InChIKeyORMBPNYIBWKMBC-UHFFFAOYSA-N
XLogP2.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-cyclohexylcyclohex-2-en-1-amine
CID 11412715
N-[(2Z)-octa-2,7-dienyl]cyclohexanamine
CID 134994037
N'-(2,3,4,7-tetrahydro-1H-azepin-2-yl)hexane-1,6-diamine
CID 18417535
6-(2,3,4,7-tetrahydro-1H-azepin-2-ylamino)hexanenitrile
CID 18417537
2-(3,6-dihydro-2H-pyridin-1-yl)azepane
CID 54333430
1-N'-pentylcyclohexa-2,4-diene-1,1-diamine
CID 67207509
1-(Azepan-2-yl)-2,3,4,7-tetrahydroazepine
CID 91366557
(1S)-N-cyclohexylcyclohept-2-en-1-amine
CID 135171422
(E)-1-N'-[(1R)-cyclohex-2-en-1-yl]-2-methylpent-1-ene-1,1-diamine
CID 141790678
Potassium;cyclohept-3-en-1-yl-[1-(methylamino)pentyl]azanide;ethane
CID 141978980
1-N'-[(2Z)-octa-2,7-dien-4-yl]-1-N-propan-2-ylethane-1,1-diamine
CID 156149003
1-N'-cyclohex-3-en-1-ylethane-1,1-diamine
CID 163669862

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine?
The IUPAC name of N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine (CID 70537691) is N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine.
What is the SMILES notation for N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine?
The canonical SMILES for N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine is C1=CCNC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine?
The InChIKey is ORMBPNYIBWKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-11(8-4-1)14-12-9-5-2-6-10-13-12/h2,6,11-14H,1,3-5,7-10H2.
What are the key properties of N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine?
N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,4,7-tetrahydro-1H-azepin-2-amine is sourced from PubChem (CID 70537691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).