4-methylidene-1-propoxy-N-propylhexan-2-amine

C13H27NO — CID 66038509

IUPAC4-methylidene-1-propoxy-N-propylhexan-2-amine
SMILESC=C(CC)CC(COCCC)NCCC
InChIInChI=1S/C13H27NO/c1-5-8-14-13(10-12(4)7-3)11-15-9-6-2/h13-14H,4-11H2,1-3H3
InChIKeyIWGSXSUGJNXZNC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds10

About 4-methylidene-1-propoxy-N-propylhexan-2-amine

4-methylidene-1-propoxy-N-propylhexan-2-amine (PubChem CID 66038509) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methylidene-1-propoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-methylidene-1-propoxy-N-propylhexan-2-amine
PubChem CID66038509
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methylidene-1-propoxy-N-propylhexan-2-amine
SMILESC=C(CC)CC(COCCC)NCCC
InChIInChI=1S/C13H27NO/c1-5-8-14-13(10-12(4)7-3)11-15-9-6-2/h13-14H,4-11H2,1-3H3
InChIKeyIWGSXSUGJNXZNC-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-propoxy-N-propylhexan-2-amine?
The IUPAC name of 4-methylidene-1-propoxy-N-propylhexan-2-amine (CID 66038509) is 4-methylidene-1-propoxy-N-propylhexan-2-amine.
What is the SMILES notation for 4-methylidene-1-propoxy-N-propylhexan-2-amine?
The canonical SMILES for 4-methylidene-1-propoxy-N-propylhexan-2-amine is C=C(CC)CC(COCCC)NCCC.
What is the InChIKey of 4-methylidene-1-propoxy-N-propylhexan-2-amine?
The InChIKey is IWGSXSUGJNXZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14-13(10-12(4)7-3)11-15-9-6-2/h13-14H,4-11H2,1-3H3.
What are the key properties of 4-methylidene-1-propoxy-N-propylhexan-2-amine?
4-methylidene-1-propoxy-N-propylhexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propoxy-N-propylhexan-2-amine is sourced from PubChem (CID 66038509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).