2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine

C17H40N4 — CID 5239027

IUPAC2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
SMILESCCN(CC)CCNC(C)CC(C)NCCN(CC)CC
InChIInChI=1S/C17H40N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h16-19H,7-15H2,1-6H3
InChIKeyYKLUCOUUKYRZIG-UHFFFAOYSA-N
MW300.53 g/mol
LogP2.02
Rot. Bonds14

About 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine

2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine (PubChem CID 5239027) has the molecular formula C17H40N4 and a molecular weight of 300.53 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
PubChem CID5239027
Molecular FormulaC17H40N4
Molecular Weight300.53 g/mol
Exact Mass300.33
IUPAC Name2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
SMILESCCN(CC)CCNC(C)CC(C)NCCN(CC)CC
InChIInChI=1S/C17H40N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h16-19H,7-15H2,1-6H3
InChIKeyYKLUCOUUKYRZIG-UHFFFAOYSA-N
XLogP2.02
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N-(1-cyclobutylpropan-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115726252
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
CID 92763316

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine (CID 5239027) is 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine is CCN(CC)CCNC(C)CC(C)NCCN(CC)CC.
What is the InChIKey of 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine?
The InChIKey is YKLUCOUUKYRZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4/c1-7-20(8-2)13-11-18-16(5)15-17(6)19-12-14-21(9-3)10-4/h16-19H,7-15H2,1-6H3.
What are the key properties of 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine?
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine has a molecular weight of 300.53 g/mol, XLogP of 2.02, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine is sourced from PubChem (CID 5239027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).