N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine

C13H27NO — CID 115770061

IUPACN-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine
SMILESCCCC(NC(COC)C(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-5-6-12(11-7-8-11)14-13(9-15-4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyPKBIHLPSUXURPB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds8

About N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine

N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine (PubChem CID 115770061) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine
PubChem CID115770061
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine
SMILESCCCC(NC(COC)C(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-5-6-12(11-7-8-11)14-13(9-15-4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyPKBIHLPSUXURPB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 63994741
1-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64919072
1-cyclopropyl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65806050
1-cyclopropyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 65806255
N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792211
1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082710
2-propyl-N-[2-(trifluoromethoxy)ethyl]cyclopropan-1-amine
CID 105775985
1-cyclopropyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 115713532
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
1-methoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 13571308
(2R)-1-methoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 13571309

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine (CID 115770061) is N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine is CCCC(NC(COC)C(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine?
The InChIKey is PKBIHLPSUXURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-6-12(11-7-8-11)14-13(9-15-4)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine?
N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 115770061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).