N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine

C14H26N2 — CID 87793604

IUPACN-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCCNCCC=C.C=CCNCC=C
InChIInChI=1S/C8H15N.C6H11N/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h3-4,9H,1-2,5-8H2;3-4,7H,1-2,5-6H2
InChIKeyVCRXDROMRGNDFI-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.68
Rot. Bonds10

About N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine

N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine (PubChem CID 87793604) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
PubChem CID87793604
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCCNCCC=C.C=CCNCC=C
InChIInChI=1S/C8H15N.C6H11N/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h3-4,9H,1-2,5-8H2;3-4,7H,1-2,5-6H2
InChIKeyVCRXDROMRGNDFI-UHFFFAOYSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine (CID 87793604) is N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine is C=CCCNCCC=C.C=CCNCC=C.
What is the InChIKey of N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is VCRXDROMRGNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C6H11N/c1-3-5-7-9-8-6-4-2;1-3-5-7-6-4-2/h3-4,9H,1-2,5-8H2;3-4,7H,1-2,5-6H2.
What are the key properties of N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine?
N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 87793604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).