[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine

C13H28N2 — CID 96612828

IUPAC[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCCN1CC(C)C
InChIInChI=1S/C13H28N2/c1-4-13-12(9-14)7-5-6-8-15(13)10-11(2)3/h11-13H,4-10,14H2,1-3H3/t12-,13-/m1/s1
InChIKeySOVZJXXKUPFZKE-CHWSQXEVSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine

[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine (PubChem CID 96612828) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
PubChem CID96612828
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCCN1CC(C)C
InChIInChI=1S/C13H28N2/c1-4-13-12(9-14)7-5-6-8-15(13)10-11(2)3/h11-13H,4-10,14H2,1-3H3/t12-,13-/m1/s1
InChIKeySOVZJXXKUPFZKE-CHWSQXEVSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 98009847
[(2R,3R)-2-ethyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine
CID 82391830
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
2-[1-(2-methylpropyl)piperidin-2-yl]propan-2-amine
CID 58691416
2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]propan-2-amine
CID 124635830
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
CID 96620784
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
[(2R,3R)-2-cyclopropyl-1-propan-2-ylazepan-3-yl]methanamine
CID 96614134
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
1-(2-methylpropyl)-3,4,6,7,8,9,10,10a-octahydro-2H-pyrimido[1,2-a]azepine
CID 126695178
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine (CID 96612828) is [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine is CC[C@@H]1[C@@H](CN)CCCCN1CC(C)C.
What is the InChIKey of [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine?
The InChIKey is SOVZJXXKUPFZKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-13-12(9-14)7-5-6-8-15(13)10-11(2)3/h11-13H,4-10,14H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine?
[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine is sourced from PubChem (CID 96612828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).