4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

C13H31N3 — CID 62437054

IUPAC4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCN(CCN(C)C)C(C)CCCNC
InChIInChI=1S/C13H31N3/c1-6-10-16(12-11-15(4)5)13(2)8-7-9-14-3/h13-14H,6-12H2,1-5H3
InChIKeyLUZRLCLGSWKDIG-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds10

About 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (PubChem CID 62437054) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
PubChem CID62437054
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCN(CCN(C)C)C(C)CCCNC
InChIInChI=1S/C13H31N3/c1-6-10-16(12-11-15(4)5)13(2)8-7-9-14-3/h13-14H,6-12H2,1-5H3
InChIKeyLUZRLCLGSWKDIG-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
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

1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62428039
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64790359
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568171
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
CID 103340397
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (CID 62437054) is 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is CCCN(CCN(C)C)C(C)CCCNC.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The InChIKey is LUZRLCLGSWKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-10-16(12-11-15(4)5)13(2)8-7-9-14-3/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is sourced from PubChem (CID 62437054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).