N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C13H29N3 — CID 102994345

IUPACN'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1CCC(N)C1
InChIInChI=1S/C13H29N3/c1-4-16(9-5-8-15(2)3)11-12-6-7-13(14)10-12/h12-13H,4-11,14H2,1-3H3
InChIKeyIYFGWMYQQFVMDO-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds7

About N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102994345) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102994345
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1CCC(N)C1
InChIInChI=1S/C13H29N3/c1-4-16(9-5-8-15(2)3)11-12-6-7-13(14)10-12/h12-13H,4-11,14H2,1-3H3
InChIKeyIYFGWMYQQFVMDO-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
N'-[(4-aminooxan-3-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 103061096
3-N-[3-(dimethylamino)propyl]-3-N-methylcyclopentane-1,3-diamine
CID 79469198
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
CID 102992615
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63045256
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
1-cyclopropyl-2-[3-(dimethylamino)propyl-ethylamino]ethanol
CID 102996311

Frequently Asked Questions

What is the IUPAC name of N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102994345) is N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CC1CCC(N)C1.
What is the InChIKey of N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is IYFGWMYQQFVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-16(9-5-8-15(2)3)11-12-6-7-13(14)10-12/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102994345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).