5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine

C11H24N2 — CID 138547022

IUPAC5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine
SMILESC=C(C(C)C)C(CCN)NC(C)C
InChIInChI=1S/C11H24N2/c1-8(2)10(5)11(6-7-12)13-9(3)4/h8-9,11,13H,5-7,12H2,1-4H3
InChIKeyXDDACVJXMMQYBB-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.91
Rot. Bonds6

About 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine

5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine (PubChem CID 138547022) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine.

Molecular Properties

Compound Name5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine
PubChem CID138547022
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine
SMILESC=C(C(C)C)C(CCN)NC(C)C
InChIInChI=1S/C11H24N2/c1-8(2)10(5)11(6-7-12)13-9(3)4/h8-9,11,13H,5-7,12H2,1-4H3
InChIKeyXDDACVJXMMQYBB-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine?
The IUPAC name of 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine (CID 138547022) is 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine.
What is the SMILES notation for 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine?
The canonical SMILES for 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine is C=C(C(C)C)C(CCN)NC(C)C.
What is the InChIKey of 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine?
The InChIKey is XDDACVJXMMQYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-8(2)10(5)11(6-7-12)13-9(3)4/h8-9,11,13H,5-7,12H2,1-4H3.
What are the key properties of 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine?
5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine is sourced from PubChem (CID 138547022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).