[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine

C13H22N2 — CID 70309386

IUPAC[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
SMILESC/C=C\C1=C(/C=C/CC)CN(CN)CC1
InChIInChI=1S/C13H22N2/c1-3-5-7-13-10-15(11-14)9-8-12(13)6-4-2/h4-7H,3,8-11,14H2,1-2H3/b6-4-,7-5+
InChIKeyNTTCHCNTYDFCLG-XGXWUAJZSA-N
MW206.33 g/mol
LogP2.45
Rot. Bonds4

About [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine

[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine (PubChem CID 70309386) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine.

Molecular Properties

Compound Name[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
PubChem CID70309386
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
SMILESC/C=C\C1=C(/C=C/CC)CN(CN)CC1
InChIInChI=1S/C13H22N2/c1-3-5-7-13-10-15(11-14)9-8-12(13)6-4-2/h4-7H,3,8-11,14H2,1-2H3/b6-4-,7-5+
InChIKeyNTTCHCNTYDFCLG-XGXWUAJZSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The IUPAC name of [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine (CID 70309386) is [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine.
What is the SMILES notation for [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The canonical SMILES for [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine is C/C=C\C1=C(/C=C/CC)CN(CN)CC1.
What is the InChIKey of [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine?
The InChIKey is NTTCHCNTYDFCLG-XGXWUAJZSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-7-13-10-15(11-14)9-8-12(13)6-4-2/h4-7H,3,8-11,14H2,1-2H3/b6-4-,7-5+.
What are the key properties of [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine?
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine has a molecular weight of 206.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine is sourced from PubChem (CID 70309386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).