3-methylpentane;N-methyl-N'-propylmethanediamine

C11H28N2 — CID 91531226

IUPAC3-methylpentane;N-methyl-N'-propylmethanediamine
SMILESCCC(C)CC.CCCNCNC
InChIInChI=1S/C6H14.C5H14N2/c1-4-6(3)5-2;1-3-4-7-5-6-2/h6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyBQTPFZFQNUKSOU-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.61
Rot. Bonds6

About 3-methylpentane;N-methyl-N'-propylmethanediamine

3-methylpentane;N-methyl-N'-propylmethanediamine (PubChem CID 91531226) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 3-methylpentane;N-methyl-N'-propylmethanediamine.

Molecular Properties

Compound Name3-methylpentane;N-methyl-N'-propylmethanediamine
PubChem CID91531226
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC Name3-methylpentane;N-methyl-N'-propylmethanediamine
SMILESCCC(C)CC.CCCNCNC
InChIInChI=1S/C6H14.C5H14N2/c1-4-6(3)5-2;1-3-4-7-5-6-2/h6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3
InChIKeyBQTPFZFQNUKSOU-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentane;N-methyl-N'-propylmethanediamine?
The IUPAC name of 3-methylpentane;N-methyl-N'-propylmethanediamine (CID 91531226) is 3-methylpentane;N-methyl-N'-propylmethanediamine.
What is the SMILES notation for 3-methylpentane;N-methyl-N'-propylmethanediamine?
The canonical SMILES for 3-methylpentane;N-methyl-N'-propylmethanediamine is CCC(C)CC.CCCNCNC.
What is the InChIKey of 3-methylpentane;N-methyl-N'-propylmethanediamine?
The InChIKey is BQTPFZFQNUKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H14N2/c1-4-6(3)5-2;1-3-4-7-5-6-2/h6H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 3-methylpentane;N-methyl-N'-propylmethanediamine?
3-methylpentane;N-methyl-N'-propylmethanediamine has a molecular weight of 188.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane;N-methyl-N'-propylmethanediamine is sourced from PubChem (CID 91531226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).