2-N-propan-2-ylhexane-1,2-diamine

C9H22N2 — CID 62070850

IUPAC2-N-propan-2-ylhexane-1,2-diamine
SMILESCCCCC(CN)NC(C)C
InChIInChI=1S/C9H22N2/c1-4-5-6-9(7-10)11-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyRXLQZPGIGZWBLP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds6

About 2-N-propan-2-ylhexane-1,2-diamine

2-N-propan-2-ylhexane-1,2-diamine (PubChem CID 62070850) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-N-propan-2-ylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-ylhexane-1,2-diamine
PubChem CID62070850
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-N-propan-2-ylhexane-1,2-diamine
SMILESCCCCC(CN)NC(C)C
InChIInChI=1S/C9H22N2/c1-4-5-6-9(7-10)11-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyRXLQZPGIGZWBLP-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959
3-methyl-N-propan-2-ylnonan-5-amine
CID 79413294
N-nonan-5-ylnonan-5-amine
CID 86205180
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
2-N-but-3-yn-2-ylnonane-1,2-diamine
CID 114415974
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
2-N-prop-1-ynylhexane-1,2-diamine
CID 167266831
1-amino-2-(sulfamoylamino)hexane
CID 114959420

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-ylhexane-1,2-diamine?
The IUPAC name of 2-N-propan-2-ylhexane-1,2-diamine (CID 62070850) is 2-N-propan-2-ylhexane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-ylhexane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-ylhexane-1,2-diamine is CCCCC(CN)NC(C)C.
What is the InChIKey of 2-N-propan-2-ylhexane-1,2-diamine?
The InChIKey is RXLQZPGIGZWBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-6-9(7-10)11-8(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-N-propan-2-ylhexane-1,2-diamine?
2-N-propan-2-ylhexane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-ylhexane-1,2-diamine is sourced from PubChem (CID 62070850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).