3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine

C14H31N3 — CID 102992615

IUPAC3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CCC(N)C1
InChIInChI=1S/C14H31N3/c1-4-16(5-2)10-7-11-17(6-3)14-9-8-13(15)12-14/h13-14H,4-12,15H2,1-3H3
InChIKeyVMLXFAASIPELDH-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds8

About 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine

3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine (PubChem CID 102992615) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
PubChem CID102992615
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1CCC(N)C1
InChIInChI=1S/C14H31N3/c1-4-16(5-2)10-7-11-17(6-3)14-9-8-13(15)12-14/h13-14H,4-12,15H2,1-3H3
InChIKeyVMLXFAASIPELDH-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 102992496
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
2-[(3-aminocyclopentyl)-butylamino]acetamide
CID 79468490
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
2-[3-(diethylamino)propyl-ethylamino]-4-ethylcyclohexan-1-ol
CID 102996342
3-N-[3-(dimethylamino)propyl]-3-N-methylcyclopentane-1,3-diamine
CID 79469198
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
cyclohexane-1,2-diamine;cyclohexane-1,4-diamine;N',N'-diethylpropane-1,3-diamine
CID 174890647
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2,3-dihydro-1H-indene-1,3-diamine
CID 102998678

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine (CID 102992615) is 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine is CCN(CC)CCCN(CC)C1CCC(N)C1.
What is the InChIKey of 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine?
The InChIKey is VMLXFAASIPELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-16(5-2)10-7-11-17(6-3)14-9-8-13(15)12-14/h13-14H,4-12,15H2,1-3H3.
What are the key properties of 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine?
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine is sourced from PubChem (CID 102992615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).