N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine

C17H36N2 — CID 55195594

IUPACN-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-13-18-14-17(6-2,7-3)15-19(4)16-11-9-8-10-12-16/h16,18H,5-15H2,1-4H3
InChIKeyDKHMQODCPZBKPG-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine

N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 55195594) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID55195594
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)C1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-13-18-14-17(6-2,7-3)15-19(4)16-11-9-8-10-12-16/h16,18H,5-15H2,1-4H3
InChIKeyDKHMQODCPZBKPG-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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-cycloheptyl-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62257203
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-tert-butyl-N'-cyclopentyl-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62263106
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
CID 81418915
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
2,2-diethyl-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62260372
N-cyclopropyl-2,2-diethyl-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256736
N-cyclohexyl-N,N',2,2-tetraethylpropane-1,3-diamine
CID 63482848
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine (CID 55195594) is N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine is CCCNCC(CC)(CC)CN(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is DKHMQODCPZBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-13-18-14-17(6-2,7-3)15-19(4)16-11-9-8-10-12-16/h16,18H,5-15H2,1-4H3.
What are the key properties of N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55195594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).