(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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Related Compounds

4-(Fluoromethyl)-1-methyl-2,7-dihydroazepin-2-amine
CID 132157830
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
N'-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]methanediamine
CID 143671711
N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine
CID 89174705
N-(cyclohepta-1,2,6-trien-1-ylmethyl)ethanamine
CID 89225345
5-[(1Z)-buta-1,3-dienyl]-3-methyl-1-azacyclohepta-3,4-diene
CID 89245520
1-cyclohexa-1,5-dien-1-yl-N'-methylmethanediamine
CID 89531123
N'-(cyclohexa-1,5-dien-1-ylmethyl)methanediamine
CID 90399795
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
N-methyl-2,5-dimethylidene-N'-pent-3-enylhex-3-ene-1,6-diamine
CID 91274080
1-N'-[(Z)-2-methylidenepent-3-enyl]ethane-1,1-diamine
CID 118181212
N-[[4-(aminomethyl)cyclobuta-1,3-dien-1-yl]methyl]ethanamine
CID 118562778

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).