3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine

C15H30N2 — CID 113490037

IUPAC3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H30N2/c1-13-7-4-3-5-10-17(13)15(2,12-16)11-14-8-6-9-14/h13-14H,3-12,16H2,1-2H3
InChIKeyBANZCJFZCWBCGN-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds4

About 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine

3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine (PubChem CID 113490037) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine
PubChem CID113490037
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine
SMILESCC1CCCCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H30N2/c1-13-7-4-3-5-10-17(13)15(2,12-16)11-14-8-6-9-14/h13-14H,3-12,16H2,1-2H3
InChIKeyBANZCJFZCWBCGN-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclobutyl-2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 113489953
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CID 60709995
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3-cyclohexyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83149608
3-cyclopentyl-2,2-dimethylpropan-1-amine;hydrochloride
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2-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 83053264
2-(cyclohexylmethyl)-3-fluoro-2-methylpropan-1-amine
CID 84719094
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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine?
The IUPAC name of 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine (CID 113490037) is 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine.
What is the SMILES notation for 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine?
The canonical SMILES for 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine is CC1CCCCCN1C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine?
The InChIKey is BANZCJFZCWBCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-7-4-3-5-10-17(13)15(2,12-16)11-14-8-6-9-14/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine?
3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-methyl-2-(2-methylazepan-1-yl)propan-1-amine is sourced from PubChem (CID 113490037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).