2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine

C12H25N — CID 104819521

IUPAC2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C1CC1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(2)13-8-11(10-6-7-10)12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyICUMVIOKYKDLCI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine

2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 104819521) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID104819521
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C1CC1)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(2)13-8-11(10-6-7-10)12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyICUMVIOKYKDLCI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
CID 83139413
2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
2-cyclopropyl-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 113456667
N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
4-(2,2-dimethylheptan-3-yl)cyclohexan-1-ol
CID 149361813
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503231
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 104819521) is 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C1CC1)C(C)(C)C.
What is the InChIKey of 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is ICUMVIOKYKDLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)13-8-11(10-6-7-10)12(3,4)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 104819521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).