N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine

C19H40N2 — CID 104744588

IUPACN',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
SMILESCCCCN(CCCC)CC(NCCC)C1CCCCC1
InChIInChI=1S/C19H40N2/c1-4-7-15-21(16-8-5-2)17-19(20-14-6-3)18-12-10-9-11-13-18/h18-20H,4-17H2,1-3H3
InChIKeyMGRCHWLPORGKCW-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds12

About N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine

N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine (PubChem CID 104744588) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
PubChem CID104744588
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
SMILESCCCCN(CCCC)CC(NCCC)C1CCCCC1
InChIInChI=1S/C19H40N2/c1-4-7-15-21(16-8-5-2)17-19(20-14-6-3)18-12-10-9-11-13-18/h18-20H,4-17H2,1-3H3
InChIKeyMGRCHWLPORGKCW-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N,N'-dipropylethane-1,2-diamine
CID 104745709
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclohexyl-N-ethyl-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 104745409
1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-cyclopropyl-N'-ethyl-N'-(2-ethylbutyl)-N-propylethane-1,2-diamine
CID 63915177
N-(1-cyclohexyl-2-propylsulfonylethyl)propan-1-amine
CID 104754032

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine (CID 104744588) is N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine is CCCCN(CCCC)CC(NCCC)C1CCCCC1.
What is the InChIKey of N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine?
The InChIKey is MGRCHWLPORGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-4-7-15-21(16-8-5-2)17-19(20-14-6-3)18-12-10-9-11-13-18/h18-20H,4-17H2,1-3H3.
What are the key properties of N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine?
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 104744588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).