1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine

C13H28N2 — CID 60689920

IUPAC1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
SMILESC=C(C)CNC(C)CCCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-15(7-2)10-8-9-13(5)14-11-12(3)4/h13-14H,3,6-11H2,1-2,4-5H3
InChIKeyGRWJKXAAMGZKBH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine (PubChem CID 60689920) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
PubChem CID60689920
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
SMILESC=C(C)CNC(C)CCCN(CC)CC
InChIInChI=1S/C13H28N2/c1-6-15(7-2)10-8-9-13(5)14-11-12(3)4/h13-14H,3,6-11H2,1-2,4-5H3
InChIKeyGRWJKXAAMGZKBH-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N-tert-butyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179840
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79477138
3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
CID 63899623
N-cyclohexyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179866

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine (CID 60689920) is 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine is C=C(C)CNC(C)CCCN(CC)CC.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
The InChIKey is GRWJKXAAMGZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-15(7-2)10-8-9-13(5)14-11-12(3)4/h13-14H,3,6-11H2,1-2,4-5H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine is sourced from PubChem (CID 60689920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).