1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine

C12H25N — CID 64986880

IUPAC1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-9-13-11(12(2,3)4)10-7-6-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyGIELBIVXUDEZLN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds4

About 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine

1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 64986880) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID64986880
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-9-13-11(12(2,3)4)10-7-6-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyGIELBIVXUDEZLN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
1-(3-bicyclo[3.1.0]hexanyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854202
1-cyclopropyl-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063170
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
1-(2,2-dimethylcyclopentyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 107188690
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine (CID 64986880) is 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(C1CCC1)C(C)(C)C.
What is the InChIKey of 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is GIELBIVXUDEZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-13-11(12(2,3)4)10-7-6-8-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine?
1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 64986880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).