3-methyl-2-propylazepan-1-amine

C10H22N2 — CID 145095479

IUPAC3-methyl-2-propylazepan-1-amine
SMILESCCCC1C(C)CCCCN1N
InChIInChI=1S/C10H22N2/c1-3-6-10-9(2)7-4-5-8-12(10)11/h9-10H,3-8,11H2,1-2H3
InChIKeyMXXVQNPPZMTYGK-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.15
Rot. Bonds2

About 3-methyl-2-propylazepan-1-amine

3-methyl-2-propylazepan-1-amine (PubChem CID 145095479) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-2-propylazepan-1-amine.

Molecular Properties

Compound Name3-methyl-2-propylazepan-1-amine
PubChem CID145095479
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-methyl-2-propylazepan-1-amine
SMILESCCCC1C(C)CCCCN1N
InChIInChI=1S/C10H22N2/c1-3-6-10-9(2)7-4-5-8-12(10)11/h9-10H,3-8,11H2,1-2H3
InChIKeyMXXVQNPPZMTYGK-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-propyl-1-prop-2-ynylpiperidine
CID 130735087
(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 134860293
1,3-dimethyl-2-propylcycloheptane
CID 123611013
2-methylpiperidin-1-amine
CID 18794277
2-butyl-1,3-dimethylpiperidine
CID 145095316
(3-methyl-2-propylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119809617
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
1-ethyl-N,3-dimethylazepan-2-amine
CID 145261139
N,N-diethyl-2-propylpiperidin-1-amine
CID 172797945
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propylazepan-1-amine?
The IUPAC name of 3-methyl-2-propylazepan-1-amine (CID 145095479) is 3-methyl-2-propylazepan-1-amine.
What is the SMILES notation for 3-methyl-2-propylazepan-1-amine?
The canonical SMILES for 3-methyl-2-propylazepan-1-amine is CCCC1C(C)CCCCN1N.
What is the InChIKey of 3-methyl-2-propylazepan-1-amine?
The InChIKey is MXXVQNPPZMTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-6-10-9(2)7-4-5-8-12(10)11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-methyl-2-propylazepan-1-amine?
3-methyl-2-propylazepan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylazepan-1-amine is sourced from PubChem (CID 145095479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).