N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine

C13H27N — CID 65194330

IUPACN-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCC1
InChIInChI=1S/C13H27N/c1-5-12(4)9-13(7-6-8-13)10-14-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyLVMNWHHPGOLQSQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds6

About N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 65194330) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
PubChem CID65194330
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCC1
InChIInChI=1S/C13H27N/c1-5-12(4)9-13(7-6-8-13)10-14-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyLVMNWHHPGOLQSQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

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Related Compounds

N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 63508058
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-methyl-1-[1-(2-methylpentyl)cyclopentyl]methanamine
CID 62724996
N-[[1-(diethylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 62262794

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine (CID 65194330) is N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine is CCC(C)CC1(CNC(C)C)CCC1.
What is the InChIKey of N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is LVMNWHHPGOLQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12(4)9-13(7-6-8-13)10-14-11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).