4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine

C15H35N3 — CID 43199211

IUPAC4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCCN(CC)CC
InChIInChI=1S/C15H35N3/c1-6-17(7-2)13-10-11-15(5)16-12-14-18(8-3)9-4/h15-16H,6-14H2,1-5H3
InChIKeyWPXNYIIACXSOSR-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.43
Rot. Bonds12

About 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43199211) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43199211
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCCN(CC)CC
InChIInChI=1S/C15H35N3/c1-6-17(7-2)13-10-11-15(5)16-12-14-18(8-3)9-4/h15-16H,6-14H2,1-5H3
InChIKeyWPXNYIIACXSOSR-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
CID 92763316
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine (CID 43199211) is 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NCCN(CC)CC.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is WPXNYIIACXSOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-6-17(7-2)13-10-11-15(5)16-12-14-18(8-3)9-4/h15-16H,6-14H2,1-5H3.
What are the key properties of 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43199211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).