1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine

C13H30N2 — CID 166937808

IUPAC1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)(CC)CC
InChIInChI=1S/C13H30N2/c1-7-13(6,8-2)14-12(5)11-15(9-3)10-4/h12,14H,7-11H2,1-6H3
InChIKeyXVCXZSCYZBNVML-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds8

About 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine (PubChem CID 166937808) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
PubChem CID166937808
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NC(C)(CC)CC
InChIInChI=1S/C13H30N2/c1-7-13(6,8-2)14-12(5)11-15(9-3)10-4/h12,14H,7-11H2,1-6H3
InChIKeyXVCXZSCYZBNVML-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
N-[1-(diethylamino)propan-2-yl]sulfamoyl chloride
CID 114958265
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
CID 114991783
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 166961536
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine (CID 166937808) is 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine is CCN(CC)CC(C)NC(C)(CC)CC.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine?
The InChIKey is XVCXZSCYZBNVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-13(6,8-2)14-12(5)11-15(9-3)10-4/h12,14H,7-11H2,1-6H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 8 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-2-N-(3-methylpentan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 166937808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).