N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride

C21H43ClN2 — CID 54609597

IUPACN',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCN(CCC1CCCCC1)CCC1CCCCC1.Cl
InChIInChI=1S/C21H42N2.ClH/c1-22(2)16-9-17-23(18-14-20-10-5-3-6-11-20)19-15-21-12-7-4-8-13-21;/h20-21H,3-19H2,1-2H3;1H
InChIKeyNWHHZAVZYCWFPY-UHFFFAOYSA-N
MW359.04 g/mol
LogP5.60
Rot. Bonds10

About N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride

N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 54609597) has the molecular formula C21H43ClN2 and a molecular weight of 359.04 g/mol. Its IUPAC name is N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID54609597
Molecular FormulaC21H43ClN2
Molecular Weight359.04 g/mol
Exact Mass358.31
IUPAC NameN',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCN(CCC1CCCCC1)CCC1CCCCC1.Cl
InChIInChI=1S/C21H42N2.ClH/c1-22(2)16-9-17-23(18-14-20-10-5-3-6-11-20)19-15-21-12-7-4-8-13-21;/h20-21H,3-19H2,1-2H3;1H
InChIKeyNWHHZAVZYCWFPY-UHFFFAOYSA-N
XLogP5.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.04
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
10-cyclohexyl-N,N-dipropyldecan-1-amine;hydrochloride
CID 173360948
2-cyclohexyl-N-methoxy-N-methylethanamine
CID 118335784
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
CID 173086070
10-cyclohexyl-N,N-diethyldecan-1-amine;hydrate
CID 173347428
3-cyclopentyl-N,N-bis(2-methoxyethyl)propan-1-amine
CID 78870866
3-(dimethylamino)propane-1-sulfonic acid;propylcycloheptane
CID 173182480
N'-ethyl-N,N-dimethyl-N'-(3-piperidin-4-ylpropyl)propane-1,3-diamine
CID 102994383
carbanide;3-cyclopentyl-N,N-dimethylpropan-1-amine;lanthanum;propan-2-yl(1-propan-2-ylazanidylethyl)azanide
CID 172526261
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride (CID 54609597) is N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride is CN(C)CCCN(CCC1CCCCC1)CCC1CCCCC1.Cl.
What is the InChIKey of N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is NWHHZAVZYCWFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2.ClH/c1-22(2)16-9-17-23(18-14-20-10-5-3-6-11-20)19-15-21-12-7-4-8-13-21;/h20-21H,3-19H2,1-2H3;1H.
What are the key properties of N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride?
N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 359.04 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 54609597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).