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

C17H37N3 — CID 102992496

IUPAC3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC)CCCN(CC)CC)C1
InChIInChI=1S/C17H37N3/c1-5-12-18-16-10-11-17(15-16)20(8-4)14-9-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyLNQBFEBAPXUOAY-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.96
Rot. Bonds11

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

3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine (PubChem CID 102992496) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
PubChem CID102992496
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
SMILESCCCNC1CCC(N(CC)CCCN(CC)CC)C1
InChIInChI=1S/C17H37N3/c1-5-12-18-16-10-11-17(15-16)20(8-4)14-9-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3
InChIKeyLNQBFEBAPXUOAY-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
CID 102992615
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
3-N-ethyl-1-N-methyl-3-N-propylcyclopentane-1,3-diamine
CID 79644235
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine (CID 102992496) is 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine is CCCNC1CCC(N(CC)CCCN(CC)CC)C1.
What is the InChIKey of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
The InChIKey is LNQBFEBAPXUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-12-18-16-10-11-17(15-16)20(8-4)14-9-13-19(6-2)7-3/h16-18H,5-15H2,1-4H3.
What are the key properties of 3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine?
3-N-[3-(diethylamino)propyl]-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.96, 11 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-ethyl-1-N-propylcyclopentane-1,3-diamine is sourced from PubChem (CID 102992496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).