N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine

C10H18N2 — CID 174281747

IUPACN-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine
SMILESC=CNC1=C(C)CC(C)CNC1
InChIInChI=1S/C10H18N2/c1-4-12-10-7-11-6-8(2)5-9(10)3/h4,8,11-12H,1,5-7H2,2-3H3
InChIKeyPUPKJQZXIOLATH-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.62
Rot. Bonds2

About N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine

N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine (PubChem CID 174281747) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine.

Molecular Properties

Compound NameN-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine
PubChem CID174281747
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine
SMILESC=CNC1=C(C)CC(C)CNC1
InChIInChI=1S/C10H18N2/c1-4-12-10-7-11-6-8(2)5-9(10)3/h4,8,11-12H,1,5-7H2,2-3H3
InChIKeyPUPKJQZXIOLATH-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine?
The IUPAC name of N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine (CID 174281747) is N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine.
What is the SMILES notation for N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine?
The canonical SMILES for N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine is C=CNC1=C(C)CC(C)CNC1.
What is the InChIKey of N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine?
The InChIKey is PUPKJQZXIOLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12-10-7-11-6-8(2)5-9(10)3/h4,8,11-12H,1,5-7H2,2-3H3.
What are the key properties of N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine?
N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine has a molecular weight of 166.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3,5-dimethyl-2,3,4,7-tetrahydro-1H-azepin-6-amine is sourced from PubChem (CID 174281747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).