N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine

C15H32N2 — CID 55023150

IUPACN'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)C)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-17(15-10-6-5-7-11-15)13-9-8-12-16-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyAENIRXAOWKYILI-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine

N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine (PubChem CID 55023150) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
PubChem CID55023150
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine
SMILESCCN(CCCCNC(C)C)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-17(15-10-6-5-7-11-15)13-9-8-12-16-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyAENIRXAOWKYILI-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N'-cyclohexyl-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 62575722
1-N-cyclohexyl-1-N,4-N-diethylhexane-1,4-diamine
CID 106799150
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
N,N-diethylcycloundecanamine
CID 163828609
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine (CID 55023150) is N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine is CCN(CCCCNC(C)C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is AENIRXAOWKYILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-17(15-10-6-5-7-11-15)13-9-8-12-16-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine?
N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-ethyl-N-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 55023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).