N-(cyclobutylmethyl)octan-2-amine

C13H27N — CID 43298239

IUPACN-(cyclobutylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1CCC1
InChIInChI=1S/C13H27N/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-13/h12-14H,3-11H2,1-2H3
InChIKeyUDLVYKCSBZSTBT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.73
Rot. Bonds8

About N-(cyclobutylmethyl)octan-2-amine

N-(cyclobutylmethyl)octan-2-amine (PubChem CID 43298239) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)octan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)octan-2-amine
PubChem CID43298239
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(cyclobutylmethyl)octan-2-amine
SMILESCCCCCCC(C)NCC1CCC1
InChIInChI=1S/C13H27N/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-13/h12-14H,3-11H2,1-2H3
InChIKeyUDLVYKCSBZSTBT-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
N-[(1,1-dioxothiolan-3-yl)methyl]octan-2-amine
CID 54915595
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
CID 60855640
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
N-[(5,5-dimethyloxolan-2-yl)methyl]octan-2-amine
CID 116521320
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
N-(pyrrolidin-3-ylmethyl)hexan-2-amine
CID 63006351

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)octan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)octan-2-amine (CID 43298239) is N-(cyclobutylmethyl)octan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)octan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)octan-2-amine is CCCCCCC(C)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)octan-2-amine?
The InChIKey is UDLVYKCSBZSTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-4-5-6-8-12(2)14-11-13-9-7-10-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)octan-2-amine?
N-(cyclobutylmethyl)octan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)octan-2-amine is sourced from PubChem (CID 43298239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).