N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride

C10H25ClN2 — CID 174617187

IUPACN',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
SMILESCCCCCNCCCN(C)C.Cl
InChIInChI=1S/C10H24N2.ClH/c1-4-5-6-8-11-9-7-10-12(2)3;/h11H,4-10H2,1-3H3;1H
InChIKeyVVGJNKBTGJYQDY-UHFFFAOYSA-N
MW208.78 g/mol
LogP2.14
Rot. Bonds8

About N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride

N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride (PubChem CID 174617187) has the molecular formula C10H25ClN2 and a molecular weight of 208.78 g/mol. Its IUPAC name is N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
PubChem CID174617187
Molecular FormulaC10H25ClN2
Molecular Weight208.78 g/mol
Exact Mass208.17
IUPAC NameN',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
SMILESCCCCCNCCCN(C)C.Cl
InChIInChI=1S/C10H24N2.ClH/c1-4-5-6-8-11-9-7-10-12(2)3;/h11H,4-10H2,1-3H3;1H
InChIKeyVVGJNKBTGJYQDY-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-pentylpentan-1-amine;hydrochloride
CID 520044
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride (CID 174617187) is N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride is CCCCCNCCCN(C)C.Cl.
What is the InChIKey of N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride?
The InChIKey is VVGJNKBTGJYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.ClH/c1-4-5-6-8-11-9-7-10-12(2)3;/h11H,4-10H2,1-3H3;1H.
What are the key properties of N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride?
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride has a molecular weight of 208.78 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 174617187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).