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

C12H25N — CID 115892765

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 Name3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
PubChem CID115892765
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,3-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
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
1-[(3,3-dimethylbutan-2-ylamino)methyl]cyclopentane-1-carboxamide
CID 115720544
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
CID 106827234
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
CID 77027223
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
CID 115909205
3-[(1-methylcycloheptyl)methylamino]butanenitrile
CID 115909164

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).