N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine

C14H31N3 — CID 63726529

IUPACN-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCNC1CCCC1
InChIInChI=1S/C14H31N3/c1-16(2)11-7-13-17(3)12-6-10-15-14-8-4-5-9-14/h14-15H,4-13H2,1-3H3
InChIKeyCGBOGPGDSIMXKZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds9

About N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine

N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine (PubChem CID 63726529) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
PubChem CID63726529
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCCNC1CCCC1
InChIInChI=1S/C14H31N3/c1-16(2)11-7-13-17(3)12-6-10-15-14-8-4-5-9-14/h14-15H,4-13H2,1-3H3
InChIKeyCGBOGPGDSIMXKZ-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
CID 67913130
N-cyclopentyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112666095
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
CID 63726355
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N-(2,2-dimethylcyclohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 79828762
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine (CID 63726529) is N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine is CN(C)CCCN(C)CCCNC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine?
The InChIKey is CGBOGPGDSIMXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-16(2)11-7-13-17(3)12-6-10-15-14-8-4-5-9-14/h14-15H,4-13H2,1-3H3.
What are the key properties of N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine?
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63726529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).