5-N-propan-2-ylhexane-2,5-diamine

C9H22N2 — CID 139989774

IUPAC5-N-propan-2-ylhexane-2,5-diamine
SMILESCC(N)CCC(C)NC(C)C
InChIInChI=1S/C9H22N2/c1-7(2)11-9(4)6-5-8(3)10/h7-9,11H,5-6,10H2,1-4H3
InChIKeyPISJFUCYPHEWDT-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds5

About 5-N-propan-2-ylhexane-2,5-diamine

5-N-propan-2-ylhexane-2,5-diamine (PubChem CID 139989774) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 5-N-propan-2-ylhexane-2,5-diamine.

Molecular Properties

Compound Name5-N-propan-2-ylhexane-2,5-diamine
PubChem CID139989774
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name5-N-propan-2-ylhexane-2,5-diamine
SMILESCC(N)CCC(C)NC(C)C
InChIInChI=1S/C9H22N2/c1-7(2)11-9(4)6-5-8(3)10/h7-9,11H,5-6,10H2,1-4H3
InChIKeyPISJFUCYPHEWDT-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-ylhexane-2,5-diamine?
The IUPAC name of 5-N-propan-2-ylhexane-2,5-diamine (CID 139989774) is 5-N-propan-2-ylhexane-2,5-diamine.
What is the SMILES notation for 5-N-propan-2-ylhexane-2,5-diamine?
The canonical SMILES for 5-N-propan-2-ylhexane-2,5-diamine is CC(N)CCC(C)NC(C)C.
What is the InChIKey of 5-N-propan-2-ylhexane-2,5-diamine?
The InChIKey is PISJFUCYPHEWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-7(2)11-9(4)6-5-8(3)10/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 5-N-propan-2-ylhexane-2,5-diamine?
5-N-propan-2-ylhexane-2,5-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-ylhexane-2,5-diamine is sourced from PubChem (CID 139989774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).