(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine

C20H30N2 — CID 143118466

IUPAC(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
SMILESC=C/C(=C\C)CCN(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C20H30N2/c1-3-18(4-2)12-15-22(17-20-11-8-14-21-20)16-13-19-9-6-5-7-10-19/h3-7,9-10,20-21H,1,8,11-17H2,2H3/b18-4+/t20-/m0/s1
InChIKeyWJJOBJIKURNBEX-VXQLYJCQSA-N
MW298.47 g/mol
LogP3.81
Rot. Bonds9

About (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine

(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine (PubChem CID 143118466) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
PubChem CID143118466
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
SMILESC=C/C(=C\C)CCN(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C20H30N2/c1-3-18(4-2)12-15-22(17-20-11-8-14-21-20)16-13-19-9-6-5-7-10-19/h3-7,9-10,20-21H,1,8,11-17H2,2H3/b18-4+/t20-/m0/s1
InChIKeyWJJOBJIKURNBEX-VXQLYJCQSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616617
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
2-anilino-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 70971023
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The IUPAC name of (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine (CID 143118466) is (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine is C=C/C(=C\C)CCN(CCc1ccccc1)C[C@@H]1CCCN1.
What is the InChIKey of (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The InChIKey is WJJOBJIKURNBEX-VXQLYJCQSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-18(4-2)12-15-22(17-20-11-8-14-21-20)16-13-19-9-6-5-7-10-19/h3-7,9-10,20-21H,1,8,11-17H2,2H3/b18-4+/t20-/m0/s1.
What are the key properties of (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
(Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine has a molecular weight of 298.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-N-(2-phenylethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine is sourced from PubChem (CID 143118466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).