1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine

C13H30N2 — CID 62041625

IUPAC1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CCC)CN(CC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-9-13(14-10-7-2)11-15(8-3)12(4)5/h12-14H,6-11H2,1-5H3
InChIKeyMSXCWFGEQGOOIB-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds9

About 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine

1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine (PubChem CID 62041625) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
PubChem CID62041625
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CCC)CN(CC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-9-13(14-10-7-2)11-15(8-3)12(4)5/h12-14H,6-11H2,1-5H3
InChIKeyMSXCWFGEQGOOIB-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 107505564
4-[propan-2-yl(propyl)amino]-2-(propylamino)butan-1-ol
CID 64795492
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365
3-N-propylhexane-1,3-diamine
CID 88724695
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
3-N-ethyl-3-N-(2-methylbutyl)-4-N-propylheptane-3,4-diamine
CID 79476940
1-N-butan-2-yl-1-N-butyl-2-N-propylbutane-1,2-diamine
CID 62040138
N-ethyl-2-methyl-N-propan-2-ylhexan-1-amine
CID 89088751
1-propan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64655390
2-[[ethyl(propan-2-yl)amino]methyl]pentanoic acid
CID 150761087
4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
CID 64706147

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine (CID 62041625) is 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine is CCCNC(CCC)CN(CC)C(C)C.
What is the InChIKey of 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
The InChIKey is MSXCWFGEQGOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-13(14-10-7-2)11-15(8-3)12(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine?
1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-propan-2-yl-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 62041625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).