N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine

C15H33N3 — CID 102997109

IUPACN'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC)CCCC1
InChIInChI=1S/C15H33N3/c1-5-18(12-8-11-17(3)4)14-15(13-16-2)9-6-7-10-15/h16H,5-14H2,1-4H3
InChIKeyGXVARPIUPDGDQW-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine (PubChem CID 102997109) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
PubChem CID102997109
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC)CCCC1
InChIInChI=1S/C15H33N3/c1-5-18(12-8-11-17(3)4)14-15(13-16-2)9-6-7-10-15/h16H,5-14H2,1-4H3
InChIKeyGXVARPIUPDGDQW-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
CID 102997192
N-ethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]propan-1-amine
CID 168996046
N-ethyl-2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 55051768
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
CID 62263266
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine (CID 102997109) is N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine is CCN(CCCN(C)C)CC1(CNC)CCCC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine?
The InChIKey is GXVARPIUPDGDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-18(12-8-11-17(3)4)14-15(13-16-2)9-6-7-10-15/h16H,5-14H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).