2-methylidene-N,N-dipropylbut-3-en-1-amine

C11H21N — CID 18512648

IUPAC2-methylidene-N,N-dipropylbut-3-en-1-amine
SMILESC=CC(=C)CN(CCC)CCC
InChIInChI=1S/C11H21N/c1-5-8-12(9-6-2)10-11(4)7-3/h7H,3-6,8-10H2,1-2H3
InChIKeyNTBMQHNLLMLHBY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.85
Rot. Bonds7

About 2-methylidene-N,N-dipropylbut-3-en-1-amine

2-methylidene-N,N-dipropylbut-3-en-1-amine (PubChem CID 18512648) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methylidene-N,N-dipropylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methylidene-N,N-dipropylbut-3-en-1-amine
PubChem CID18512648
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methylidene-N,N-dipropylbut-3-en-1-amine
SMILESC=CC(=C)CN(CCC)CCC
InChIInChI=1S/C11H21N/c1-5-8-12(9-6-2)10-11(4)7-3/h7H,3-6,8-10H2,1-2H3
InChIKeyNTBMQHNLLMLHBY-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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-dipropylbut-3-en-1-amine?
The IUPAC name of 2-methylidene-N,N-dipropylbut-3-en-1-amine (CID 18512648) is 2-methylidene-N,N-dipropylbut-3-en-1-amine.
What is the SMILES notation for 2-methylidene-N,N-dipropylbut-3-en-1-amine?
The canonical SMILES for 2-methylidene-N,N-dipropylbut-3-en-1-amine is C=CC(=C)CN(CCC)CCC.
What is the InChIKey of 2-methylidene-N,N-dipropylbut-3-en-1-amine?
The InChIKey is NTBMQHNLLMLHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-12(9-6-2)10-11(4)7-3/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 2-methylidene-N,N-dipropylbut-3-en-1-amine?
2-methylidene-N,N-dipropylbut-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N,N-dipropylbut-3-en-1-amine is sourced from PubChem (CID 18512648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).