3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine

Name: 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₅N — CID 115892765

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine

SMILESCC(NCC1(C)CCC1)C(C)(C)C

InChIInChI=1S/C12H25N/c1-10(11(2,3)4)13-9-12(5)7-6-8-12/h10,13H,6-9H2,1-5H3

InChIKeyXKRWOJSWMBNWHZ-UHFFFAOYSA-N

MW183.34 g/mol

LogP3.20

Rot. Bonds3

About 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine

3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine (PubChem CID 115892765) has the molecular formula C₁₂H₂₅N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine.

Molecular Properties

Compound Name	3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
PubChem CID	115892765
Molecular Formula	C₁₂H₂₅N
Molecular Weight	183.34 g/mol
Exact Mass	183.20
IUPAC Name	3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
SMILES	CC(NCC1(C)CCC1)C(C)(C)C
InChI	InChI=1S/C12H25N/c1-10(11(2,3)4)13-9-12(5)7-6-8-12/h10,13H,6-9H2,1-5H3
InChIKey	XKRWOJSWMBNWHZ-UHFFFAOYSA-N
XLogP	3.20
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.34
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine?

The IUPAC name of 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine (CID 115892765) is 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine.

What is the SMILES notation for 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine?

The canonical SMILES for 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine is CC(NCC1(C)CCC1)C(C)(C)C.

What is the InChIKey of 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine?

The InChIKey is XKRWOJSWMBNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(11(2,3)4)13-9-12(5)7-6-8-12/h10,13H,6-9H2,1-5H3.

What are the key properties of 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine?

3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine is sourced from PubChem (CID 115892765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115892765 — identifiers, structure, computed properties (public domain)

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