N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine

C15H35N3 — CID 92763316

IUPACN-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
SMILESCCCC[C@@H](C)NCCCNCCN(CC)CC
InChIInChI=1S/C15H35N3/c1-5-8-10-15(4)17-12-9-11-16-13-14-18(6-2)7-3/h15-17H,5-14H2,1-4H3/t15-/m1/s1
InChIKeyBUZMAIJIVPHCSH-OAHLLOKOSA-N
MW257.47 g/mol
LogP2.48
Rot. Bonds13

About N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine

N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine (PubChem CID 92763316) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
PubChem CID92763316
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
SMILESCCCC[C@@H](C)NCCCNCCN(CC)CC
InChIInChI=1S/C15H35N3/c1-5-8-10-15(4)17-12-9-11-16-13-14-18(6-2)7-3/h15-17H,5-14H2,1-4H3/t15-/m1/s1
InChIKeyBUZMAIJIVPHCSH-OAHLLOKOSA-N
XLogP2.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-ethyl-N'-heptan-2-ylpropane-1,3-diamine
CID 62835218
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N-[2-(diethylamino)ethyl]-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 55089810
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylundecan-1-amine
CID 150124606

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine (CID 92763316) is N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine is CCCC[C@@H](C)NCCCNCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine?
The InChIKey is BUZMAIJIVPHCSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H35N3/c1-5-8-10-15(4)17-12-9-11-16-13-14-18(6-2)7-3/h15-17H,5-14H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine?
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.48, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 92763316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).