3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine

C13H30N2 — CID 62624784

IUPAC3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(C)CCC(NCC)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-10-15(6)11-9-12(14-8-2)13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyPVEPZZAYIJUEMZ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds7

About 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine

3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine (PubChem CID 62624784) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
PubChem CID62624784
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(C)CCC(NCC)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-10-15(6)11-9-12(14-8-2)13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyPVEPZZAYIJUEMZ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62623521
1-N-[3-(dimethylamino)propyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 63699837
3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 63494212
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
CID 62623524
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81055398
1-N-(cyclobutylmethyl)-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62861204
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine (CID 62624784) is 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine is CCCN(C)CCC(NCC)C(C)(C)C.
What is the InChIKey of 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine?
The InChIKey is PVEPZZAYIJUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-10-15(6)11-9-12(14-8-2)13(3,4)5/h12,14H,7-11H2,1-6H3.
What are the key properties of 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine?
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine is sourced from PubChem (CID 62624784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).