N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine

C14H33N3 — CID 62436376

IUPACN'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
SMILESCCCNCCCCN(CCC)CCN(C)C
InChIInChI=1S/C14H33N3/c1-5-9-15-10-7-8-12-17(11-6-2)14-13-16(3)4/h15H,5-14H2,1-4H3
InChIKeyDUFYNMWHEFNKGI-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.04
Rot. Bonds12

About N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine

N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine (PubChem CID 62436376) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
PubChem CID62436376
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
SMILESCCCNCCCCN(CCC)CCN(C)C
InChIInChI=1S/C14H33N3/c1-5-9-15-10-7-8-12-17(11-6-2)14-13-16(3)4/h15H,5-14H2,1-4H3
InChIKeyDUFYNMWHEFNKGI-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.04
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',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine (CID 62436376) is N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine is CCCNCCCCN(CCC)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine?
The InChIKey is DUFYNMWHEFNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-5-9-15-10-7-8-12-17(11-6-2)14-13-16(3)4/h15H,5-14H2,1-4H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine?
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine is sourced from PubChem (CID 62436376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).