(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine

C8H14N2 — CID 126687315

IUPAC(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine
SMILESCC1=CCN[C@@H](N)C(C)=C1
InChIInChI=1S/C8H14N2/c1-6-3-4-10-8(9)7(2)5-6/h3,5,8,10H,4,9H2,1-2H3/t8-/m1/s1
InChIKeyVOPYVNZZCOLBTP-MRVPVSSYSA-N
MW138.21 g/mol
LogP0.77
Rot. Bonds

About (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine

(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine (PubChem CID 126687315) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine.

Molecular Properties

Compound Name(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine
PubChem CID126687315
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine
SMILESCC1=CCN[C@@H](N)C(C)=C1
InChIInChI=1S/C8H14N2/c1-6-3-4-10-8(9)7(2)5-6/h3,5,8,10H,4,9H2,1-2H3/t8-/m1/s1
InChIKeyVOPYVNZZCOLBTP-MRVPVSSYSA-N
XLogP0.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine?
The IUPAC name of (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine (CID 126687315) is (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine.
What is the SMILES notation for (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine?
The canonical SMILES for (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine is CC1=CCN[C@@H](N)C(C)=C1.
What is the InChIKey of (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine?
The InChIKey is VOPYVNZZCOLBTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-3-4-10-8(9)7(2)5-6/h3,5,8,10H,4,9H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine?
(2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine has a molecular weight of 138.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,5-dimethyl-2,7-dihydro-1H-azepin-2-amine is sourced from PubChem (CID 126687315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).