1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine

C15H22N2 — CID 130394109

IUPAC1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine
SMILESC=C/C(C)=c1/nc(CC(C)N)cc/c1=C/CC
InChIInChI=1S/C15H22N2/c1-5-7-13-8-9-14(10-12(4)16)17-15(13)11(3)6-2/h6-9,12H,2,5,10,16H2,1,3-4H3/b13-7-,15-11+
InChIKeyWNEWWNFTPFKXIR-BMLJDDBMSA-N
MW230.35 g/mol
LogP1.52
Rot. Bonds4

About 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine

1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine (PubChem CID 130394109) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine
PubChem CID130394109
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine
SMILESC=C/C(C)=c1/nc(CC(C)N)cc/c1=C/CC
InChIInChI=1S/C15H22N2/c1-5-7-13-8-9-14(10-12(4)16)17-15(13)11(3)6-2/h6-9,12H,2,5,10,16H2,1,3-4H3/b13-7-,15-11+
InChIKeyWNEWWNFTPFKXIR-BMLJDDBMSA-N
XLogP1.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine (CID 130394109) is 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine is C=C/C(C)=c1/nc(CC(C)N)cc/c1=C/CC.
What is the InChIKey of 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine?
The InChIKey is WNEWWNFTPFKXIR-BMLJDDBMSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-7-13-8-9-14(10-12(4)16)17-15(13)11(3)6-2/h6-9,12H,2,5,10,16H2,1,3-4H3/b13-7-,15-11+.
What are the key properties of 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine?
1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 130394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).