N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine

C13H27N — CID 106797917

IUPACN-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC(C)CC)CC1
InChIInChI=1S/C13H27N/c1-5-9-14-12(4)13(7-8-13)10-11(3)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyMHXGRLCMFADJPF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds7

About N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine

N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine (PubChem CID 106797917) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine
PubChem CID106797917
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine
SMILESCCCNC(C)C1(CC(C)CC)CC1
InChIInChI=1S/C13H27N/c1-5-9-14-12(4)13(7-8-13)10-11(3)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyMHXGRLCMFADJPF-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-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

N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine
CID 106798002
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798013
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
N-[1-[1-[3-(2-methoxyethoxy)propyl]cyclopropyl]ethyl]propan-1-amine
CID 106797997
N-[1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797931
N-[1-[1-(furan-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798082
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
N-[1-[1-[(4-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797934
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798051
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine (CID 106797917) is N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine is CCCNC(C)C1(CC(C)CC)CC1.
What is the InChIKey of N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine?
The InChIKey is MHXGRLCMFADJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-9-14-12(4)13(7-8-13)10-11(3)6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine?
N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylbutyl)cyclopropyl]ethyl]propan-1-amine is sourced from PubChem (CID 106797917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).