2-N-(3-methylbutan-2-yl)propane-1,2-diamine

C8H20N2 — CID 103387734

IUPAC2-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(CN)NC(C)C(C)C
InChIInChI=1S/C8H20N2/c1-6(2)8(4)10-7(3)5-9/h6-8,10H,5,9H2,1-4H3
InChIKeyWQGBQRIOZGKRAX-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds4

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

2-N-(3-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 103387734) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-N-(3-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methylbutan-2-yl)propane-1,2-diamine
PubChem CID103387734
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCC(CN)NC(C)C(C)C
InChIInChI=1S/C8H20N2/c1-6(2)8(4)10-7(3)5-9/h6-8,10H,5,9H2,1-4H3
InChIKeyWQGBQRIOZGKRAX-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
2-N-(dicyclopropylmethyl)propane-1,2-diamine
CID 103387479
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853
(2R)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036851
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
CID 104868008
3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
CID 106348789
2-N-but-3-yn-2-ylpropane-1,2-diamine
CID 114415976
2-N-[1-(dimethylamino)propan-2-yl]propane-1,2-diamine
CID 103390735
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(3-methylbutan-2-yl)propane-1,2-diamine (CID 103387734) is 2-N-(3-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3-methylbutan-2-yl)propane-1,2-diamine is CC(CN)NC(C)C(C)C.
What is the InChIKey of 2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is WQGBQRIOZGKRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-6(2)8(4)10-7(3)5-9/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-N-(3-methylbutan-2-yl)propane-1,2-diamine?
2-N-(3-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 103387734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).