N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

C17H37N3 — CID 2055566

IUPACN'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)CC1CCCCC1
InChIInChI=1S/C17H37N3/c1-18(2)12-8-14-20(15-9-13-19(3)4)16-17-10-6-5-7-11-17/h17H,5-16H2,1-4H3
InChIKeyUDZPQLZRUGBSBV-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.77
Rot. Bonds10

About N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 2055566) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID2055566
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)CC1CCCCC1
InChIInChI=1S/C17H37N3/c1-18(2)12-8-14-20(15-9-13-19(3)4)16-17-10-6-5-7-11-17/h17H,5-16H2,1-4H3
InChIKeyUDZPQLZRUGBSBV-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 54609597
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
carbanide;cobalt(2+);heptakis(cyclopentane);1-cyclopentyl-N,N-dimethylmethanamine;bis(iron(2+));nickel(2+)
CID 162293129
3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (CID 2055566) is N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is CN(C)CCCN(CCCN(C)C)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is UDZPQLZRUGBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-18(2)12-8-14-20(15-9-13-19(3)4)16-17-10-6-5-7-11-17/h17H,5-16H2,1-4H3.
What are the key properties of N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 2055566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).