N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine

C18H41N3 — CID 23131522

IUPACN-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNCCCCCN(CC)CC
InChIInChI=1S/C18H41N3/c1-5-20(6-2)17-13-9-11-15-19-16-12-10-14-18-21(7-3)8-4/h19H,5-18H2,1-4H3
InChIKeyFMXSSAZUVCXKLS-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.60
Rot. Bonds16

About N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine

N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine (PubChem CID 23131522) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
PubChem CID23131522
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNCCCCCN(CC)CC
InChIInChI=1S/C18H41N3/c1-5-20(6-2)17-13-9-11-15-19-16-12-10-14-18-21(7-3)8-4/h19H,5-18H2,1-4H3
InChIKeyFMXSSAZUVCXKLS-UHFFFAOYSA-N
XLogP3.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
CID 167691953
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 55074202
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N-(2-cyclohexylethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960501
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine?
The IUPAC name of N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine (CID 23131522) is N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine?
The canonical SMILES for N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine is CCN(CC)CCCCCNCCCCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine?
The InChIKey is FMXSSAZUVCXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-5-20(6-2)17-13-9-11-15-19-16-12-10-14-18-21(7-3)8-4/h19H,5-18H2,1-4H3.
What are the key properties of N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine?
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.60, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 23131522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).