(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine

C17H25N — CID 142148479

IUPAC(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine
SMILESC=C(c1ccccc1)N(CCCC)/C(=C\C)CC
InChIInChI=1S/C17H25N/c1-5-8-14-18(17(6-2)7-3)15(4)16-12-10-9-11-13-16/h6,9-13H,4-5,7-8,14H2,1-3H3/b17-6-
InChIKeyLWPQGAUMYMPCNL-FMQZQXMHSA-N
MW243.39 g/mol
LogP5.07
Rot. Bonds7

About (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine

(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine (PubChem CID 142148479) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine
PubChem CID142148479
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine
SMILESC=C(c1ccccc1)N(CCCC)/C(=C\C)CC
InChIInChI=1S/C17H25N/c1-5-8-14-18(17(6-2)7-3)15(4)16-12-10-9-11-13-16/h6,9-13H,4-5,7-8,14H2,1-3H3/b17-6-
InChIKeyLWPQGAUMYMPCNL-FMQZQXMHSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine?
The IUPAC name of (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine (CID 142148479) is (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine.
What is the SMILES notation for (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine?
The canonical SMILES for (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine is C=C(c1ccccc1)N(CCCC)/C(=C\C)CC.
What is the InChIKey of (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine?
The InChIKey is LWPQGAUMYMPCNL-FMQZQXMHSA-N. The full InChI is InChI=1S/C17H25N/c1-5-8-14-18(17(6-2)7-3)15(4)16-12-10-9-11-13-16/h6,9-13H,4-5,7-8,14H2,1-3H3/b17-6-.
What are the key properties of (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine?
(Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine has a molecular weight of 243.39 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-N-(1-phenylethenyl)pent-2-en-3-amine is sourced from PubChem (CID 142148479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).