1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine

C12H25NO — CID 115770147

IUPAC1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
SMILESCCCC(NCC(C)(C)OC)C1CC1
InChIInChI=1S/C12H25NO/c1-5-6-11(10-7-8-10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyPPQOPWLQXFWAKX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine

1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine (PubChem CID 115770147) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
PubChem CID115770147
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
SMILESCCCC(NCC(C)(C)OC)C1CC1
InChIInChI=1S/C12H25NO/c1-5-6-11(10-7-8-10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyPPQOPWLQXFWAKX-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
CID 115718648
1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
CID 115769996
1-cyclobutyl-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032134
1-cyclopentyl-N-ethyl-5-methoxy-5-methylhexan-1-amine
CID 103034619
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
CID 115724125
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 103829362
1-(4-ethylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103035720
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine (CID 115770147) is 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine is CCCC(NCC(C)(C)OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine?
The InChIKey is PPQOPWLQXFWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-11(10-7-8-10)13-9-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine?
1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115770147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).