N,3-dimethyl-N-propylbuta-1,3-dien-2-amine

C9H17N — CID 126604262

IUPACN,3-dimethyl-N-propylbuta-1,3-dien-2-amine
SMILESC=C(C)C(=C)N(C)CCC
InChIInChI=1S/C9H17N/c1-6-7-10(5)9(4)8(2)3/h2,4,6-7H2,1,3,5H3
InChIKeyOMWITHUNPHXAJU-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds4

About N,3-dimethyl-N-propylbuta-1,3-dien-2-amine

N,3-dimethyl-N-propylbuta-1,3-dien-2-amine (PubChem CID 126604262) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,3-dimethyl-N-propylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propylbuta-1,3-dien-2-amine
PubChem CID126604262
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,3-dimethyl-N-propylbuta-1,3-dien-2-amine
SMILESC=C(C)C(=C)N(C)CCC
InChIInChI=1S/C9H17N/c1-6-7-10(5)9(4)8(2)3/h2,4,6-7H2,1,3,5H3
InChIKeyOMWITHUNPHXAJU-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
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 N,3-dimethyl-N-propylbuta-1,3-dien-2-amine?
The IUPAC name of N,3-dimethyl-N-propylbuta-1,3-dien-2-amine (CID 126604262) is N,3-dimethyl-N-propylbuta-1,3-dien-2-amine.
What is the SMILES notation for N,3-dimethyl-N-propylbuta-1,3-dien-2-amine?
The canonical SMILES for N,3-dimethyl-N-propylbuta-1,3-dien-2-amine is C=C(C)C(=C)N(C)CCC.
What is the InChIKey of N,3-dimethyl-N-propylbuta-1,3-dien-2-amine?
The InChIKey is OMWITHUNPHXAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-10(5)9(4)8(2)3/h2,4,6-7H2,1,3,5H3.
What are the key properties of N,3-dimethyl-N-propylbuta-1,3-dien-2-amine?
N,3-dimethyl-N-propylbuta-1,3-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propylbuta-1,3-dien-2-amine is sourced from PubChem (CID 126604262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).