2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine

C18H33N3 — CID 102992091

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
SMILESCCN(CC)CCCN(CC)C(CN)Cc1ccccc1
InChIInChI=1S/C18H33N3/c1-4-20(5-2)13-10-14-21(6-3)18(16-19)15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16,19H2,1-3H3
InChIKeyKTMHVTKQZQYSIA-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.61
Rot. Bonds11

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine (PubChem CID 102992091) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
PubChem CID102992091
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
SMILESCCN(CC)CCCN(CC)C(CN)Cc1ccccc1
InChIInChI=1S/C18H33N3/c1-4-20(5-2)13-10-14-21(6-3)18(16-19)15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16,19H2,1-3H3
InChIKeyKTMHVTKQZQYSIA-UHFFFAOYSA-N
XLogP2.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-3-phenyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61436906
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine (CID 102992091) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine is CCN(CC)CCCN(CC)C(CN)Cc1ccccc1.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine?
The InChIKey is KTMHVTKQZQYSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-20(5-2)13-10-14-21(6-3)18(16-19)15-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16,19H2,1-3H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine has a molecular weight of 291.48 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 102992091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).