N-butyl-N-propylcyclohexanamine

C13H27N — CID 15751893

IUPACN-butyl-N-propylcyclohexanamine
SMILESCCCCN(CCC)C1CCCCC1
InChIInChI=1S/C13H27N/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13/h13H,3-12H2,1-2H3
InChIKeyWFRMORMUQSCWKN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.83
Rot. Bonds6

About N-butyl-N-propylcyclohexanamine

N-butyl-N-propylcyclohexanamine (PubChem CID 15751893) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-butyl-N-propylcyclohexanamine.

Molecular Properties

Compound NameN-butyl-N-propylcyclohexanamine
PubChem CID15751893
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-butyl-N-propylcyclohexanamine
SMILESCCCCN(CCC)C1CCCCC1
InChIInChI=1S/C13H27N/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13/h13H,3-12H2,1-2H3
InChIKeyWFRMORMUQSCWKN-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylcyclodecanamine
CID 139723962
N-(5-methylhexyl)-N-propylcyclohexanamine
CID 167070487
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
N'-cyclopentyl-N'-hexylpropane-1,3-diamine
CID 43137589
N'-cyclopentyl-N'-nonylpropane-1,3-diamine
CID 43319594
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propylcyclohexanamine?
The IUPAC name of N-butyl-N-propylcyclohexanamine (CID 15751893) is N-butyl-N-propylcyclohexanamine.
What is the SMILES notation for N-butyl-N-propylcyclohexanamine?
The canonical SMILES for N-butyl-N-propylcyclohexanamine is CCCCN(CCC)C1CCCCC1.
What is the InChIKey of N-butyl-N-propylcyclohexanamine?
The InChIKey is WFRMORMUQSCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-12-14(11-4-2)13-9-7-6-8-10-13/h13H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-propylcyclohexanamine?
N-butyl-N-propylcyclohexanamine has a molecular weight of 197.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propylcyclohexanamine is sourced from PubChem (CID 15751893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).