4-methyl-3-propan-2-ylpentane-2,3-diamine

C9H22N2 — CID 23346809

IUPAC4-methyl-3-propan-2-ylpentane-2,3-diamine
SMILESCC(C)C(N)(C(C)C)C(C)N
InChIInChI=1S/C9H22N2/c1-6(2)9(11,7(3)4)8(5)10/h6-8H,10-11H2,1-5H3
InChIKeyYBYRVSIYNAMEHZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.34
Rot. Bonds3

About 4-methyl-3-propan-2-ylpentane-2,3-diamine

4-methyl-3-propan-2-ylpentane-2,3-diamine (PubChem CID 23346809) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 4-methyl-3-propan-2-ylpentane-2,3-diamine.

Molecular Properties

Compound Name4-methyl-3-propan-2-ylpentane-2,3-diamine
PubChem CID23346809
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name4-methyl-3-propan-2-ylpentane-2,3-diamine
SMILESCC(C)C(N)(C(C)C)C(C)N
InChIInChI=1S/C9H22N2/c1-6(2)9(11,7(3)4)8(5)10/h6-8H,10-11H2,1-5H3
InChIKeyYBYRVSIYNAMEHZ-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 4-methyl-3-propan-2-ylpentane-2,3-diamine?
The IUPAC name of 4-methyl-3-propan-2-ylpentane-2,3-diamine (CID 23346809) is 4-methyl-3-propan-2-ylpentane-2,3-diamine.
What is the SMILES notation for 4-methyl-3-propan-2-ylpentane-2,3-diamine?
The canonical SMILES for 4-methyl-3-propan-2-ylpentane-2,3-diamine is CC(C)C(N)(C(C)C)C(C)N.
What is the InChIKey of 4-methyl-3-propan-2-ylpentane-2,3-diamine?
The InChIKey is YBYRVSIYNAMEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6(2)9(11,7(3)4)8(5)10/h6-8H,10-11H2,1-5H3.
What are the key properties of 4-methyl-3-propan-2-ylpentane-2,3-diamine?
4-methyl-3-propan-2-ylpentane-2,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-ylpentane-2,3-diamine is sourced from PubChem (CID 23346809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).