2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine

C15H31NO — CID 135274385

IUPAC2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
SMILESC=C(C(C)C)C(CC(C)OC(C)C)NC(C)C
InChIInChI=1S/C15H31NO/c1-10(2)14(8)15(16-11(3)4)9-13(7)17-12(5)6/h10-13,15-16H,8-9H2,1-7H3
InChIKeyLGXFMIKSMQZBHR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.77
Rot. Bonds8

About 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine

2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine (PubChem CID 135274385) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
PubChem CID135274385
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
SMILESC=C(C(C)C)C(CC(C)OC(C)C)NC(C)C
InChIInChI=1S/C15H31NO/c1-10(2)14(8)15(16-11(3)4)9-13(7)17-12(5)6/h10-13,15-16H,8-9H2,1-7H3
InChIKeyLGXFMIKSMQZBHR-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
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 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine?
The IUPAC name of 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine (CID 135274385) is 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine.
What is the SMILES notation for 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine?
The canonical SMILES for 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine is C=C(C(C)C)C(CC(C)OC(C)C)NC(C)C.
What is the InChIKey of 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine?
The InChIKey is LGXFMIKSMQZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-10(2)14(8)15(16-11(3)4)9-13(7)17-12(5)6/h10-13,15-16H,8-9H2,1-7H3.
What are the key properties of 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine?
2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine has a molecular weight of 241.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine is sourced from PubChem (CID 135274385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).