N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine

C16H34N2 — CID 113230405

IUPACN'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
SMILESCCCC1CCC(NCCN(C)C(C)CC)CC1
InChIInChI=1S/C16H34N2/c1-5-7-15-8-10-16(11-9-15)17-12-13-18(4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyOPZOQAPWQDQPCS-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine (PubChem CID 113230405) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
PubChem CID113230405
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
SMILESCCCC1CCC(NCCN(C)C(C)CC)CC1
InChIInChI=1S/C16H34N2/c1-5-7-15-8-10-16(11-9-15)17-12-13-18(4)14(3)6-2/h14-17H,5-13H2,1-4H3
InChIKeyOPZOQAPWQDQPCS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-methyl-N-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115605972
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 114132559

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine (CID 113230405) is N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine is CCCC1CCC(NCCN(C)C(C)CC)CC1.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine?
The InChIKey is OPZOQAPWQDQPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-15-8-10-16(11-9-15)17-12-13-18(4)14(3)6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 113230405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).