(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene

C17H30N2 — CID 143916487

IUPAC(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene
SMILESC=C/C=C(\C=C)CCN(C)CC1CCCN1.C=CC
InChIInChI=1S/C14H24N2.C3H6/c1-4-7-13(5-2)9-11-16(3)12-14-8-6-10-15-14;1-3-2/h4-5,7,14-15H,1-2,6,8-12H2,3H3;3H,1H2,2H3/b13-7+;
InChIKeyUJAAAJPULMWUMK-FTPOTTDRSA-N
MW262.44 g/mol
LogP3.55
Rot. Bonds7

About (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene

(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene (PubChem CID 143916487) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene
PubChem CID143916487
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene
SMILESC=C/C=C(\C=C)CCN(C)CC1CCCN1.C=CC
InChIInChI=1S/C14H24N2.C3H6/c1-4-7-13(5-2)9-11-16(3)12-14-8-6-10-15-14;1-3-2/h4-5,7,14-15H,1-2,6,8-12H2,3H3;3H,1H2,2H3/b13-7+;
InChIKeyUJAAAJPULMWUMK-FTPOTTDRSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene?
The IUPAC name of (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene (CID 143916487) is (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene.
What is the SMILES notation for (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene?
The canonical SMILES for (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene is C=C/C=C(\C=C)CCN(C)CC1CCCN1.C=CC.
What is the InChIKey of (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene?
The InChIKey is UJAAAJPULMWUMK-FTPOTTDRSA-N. The full InChI is InChI=1S/C14H24N2.C3H6/c1-4-7-13(5-2)9-11-16(3)12-14-8-6-10-15-14;1-3-2/h4-5,7,14-15H,1-2,6,8-12H2,3H3;3H,1H2,2H3/b13-7+;.
What are the key properties of (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene?
(3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene has a molecular weight of 262.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-methyl-N-(pyrrolidin-2-ylmethyl)hexa-3,5-dien-1-amine;prop-1-ene is sourced from PubChem (CID 143916487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).