4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine

C13H27N — CID 91412540

IUPAC4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine
SMILESC=C(C(C)NC(C)C)C(C)(CC)CC
InChIInChI=1S/C13H27N/c1-8-13(7,9-2)11(5)12(6)14-10(3)4/h10,12,14H,5,8-9H2,1-4,6-7H3
InChIKeyPHNZVYIELOQOIC-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds6

About 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine

4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine (PubChem CID 91412540) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine
PubChem CID91412540
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine
SMILESC=C(C(C)NC(C)C)C(C)(CC)CC
InChIInChI=1S/C13H27N/c1-8-13(7,9-2)11(5)12(6)14-10(3)4/h10,12,14H,5,8-9H2,1-4,6-7H3
InChIKeyPHNZVYIELOQOIC-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine?
The IUPAC name of 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine (CID 91412540) is 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine is C=C(C(C)NC(C)C)C(C)(CC)CC.
What is the InChIKey of 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine?
The InChIKey is PHNZVYIELOQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-13(7,9-2)11(5)12(6)14-10(3)4/h10,12,14H,5,8-9H2,1-4,6-7H3.
What are the key properties of 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine?
4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 91412540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).