N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine

C17H36N2 — CID 63495625

IUPACN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)CC1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-12-17(3,14-18-6-2)15-19(4)13-16-10-8-7-9-11-16/h16,18H,5-15H2,1-4H3
InChIKeyRZSQZIOZEBBYAM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds9

About N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine

N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine (PubChem CID 63495625) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
PubChem CID63495625
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)CC1CCCCC1
InChIInChI=1S/C17H36N2/c1-5-12-17(3,14-18-6-2)15-19(4)13-16-10-8-7-9-11-16/h16,18H,5-15H2,1-4H3
InChIKeyRZSQZIOZEBBYAM-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
2-(cyclopentylmethyl)-N-ethyl-2-methylpentan-1-amine
CID 63507341
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
3-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826426

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine (CID 63495625) is N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
The InChIKey is RZSQZIOZEBBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-12-17(3,14-18-6-2)15-19(4)13-16-10-8-7-9-11-16/h16,18H,5-15H2,1-4H3.
What are the key properties of N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine?
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63495625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).