2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine

C11H21N — CID 14644963

IUPAC2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
SMILESC=CC(=C)CN(C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-7-11(6)8-12(9(2)3)10(4)5/h7,9-10H,1,6,8H2,2-5H3
InChIKeyGMFIOVZUFNXTOP-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.85
Rot. Bonds5

About 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine

2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine (PubChem CID 14644963) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
PubChem CID14644963
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
SMILESC=CC(=C)CN(C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-7-11(6)8-12(9(2)3)10(4)5/h7,9-10H,1,6,8H2,2-5H3
InChIKeyGMFIOVZUFNXTOP-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine?
The IUPAC name of 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine (CID 14644963) is 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine.
What is the SMILES notation for 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine?
The canonical SMILES for 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine is C=CC(=C)CN(C(C)C)C(C)C.
What is the InChIKey of 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine?
The InChIKey is GMFIOVZUFNXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7-11(6)8-12(9(2)3)10(4)5/h7,9-10H,1,6,8H2,2-5H3.
What are the key properties of 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine?
2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 14644963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).