2-propan-2-ylhexane-1,3-diamine

C9H22N2 — CID 116945703

IUPAC2-propan-2-ylhexane-1,3-diamine
SMILESCCCC(N)C(CN)C(C)C
InChIInChI=1S/C9H22N2/c1-4-5-9(11)8(6-10)7(2)3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyJWEGXEZUFYWRNP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.34
Rot. Bonds5

About 2-propan-2-ylhexane-1,3-diamine

2-propan-2-ylhexane-1,3-diamine (PubChem CID 116945703) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-propan-2-ylhexane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-ylhexane-1,3-diamine
PubChem CID116945703
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-propan-2-ylhexane-1,3-diamine
SMILESCCCC(N)C(CN)C(C)C
InChIInChI=1S/C9H22N2/c1-4-5-9(11)8(6-10)7(2)3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyJWEGXEZUFYWRNP-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylhexane-1,3-diamine?
The IUPAC name of 2-propan-2-ylhexane-1,3-diamine (CID 116945703) is 2-propan-2-ylhexane-1,3-diamine.
What is the SMILES notation for 2-propan-2-ylhexane-1,3-diamine?
The canonical SMILES for 2-propan-2-ylhexane-1,3-diamine is CCCC(N)C(CN)C(C)C.
What is the InChIKey of 2-propan-2-ylhexane-1,3-diamine?
The InChIKey is JWEGXEZUFYWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-9(11)8(6-10)7(2)3/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of 2-propan-2-ylhexane-1,3-diamine?
2-propan-2-ylhexane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylhexane-1,3-diamine is sourced from PubChem (CID 116945703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).