(E)-N-(1-phenylpropyl)but-2-en-1-amine

C13H19N — CID 90302299

IUPAC(E)-N-(1-phenylpropyl)but-2-en-1-amine
SMILESC/C=C/CNC(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h3,5-10,13-14H,4,11H2,1-2H3/b5-3+
InChIKeyNFGCGKSZBXHYKD-HWKANZROSA-N
MW189.30 g/mol
LogP3.30
Rot. Bonds5

About (E)-N-(1-phenylpropyl)but-2-en-1-amine

(E)-N-(1-phenylpropyl)but-2-en-1-amine (PubChem CID 90302299) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-N-(1-phenylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-phenylpropyl)but-2-en-1-amine
PubChem CID90302299
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-N-(1-phenylpropyl)but-2-en-1-amine
SMILESC/C=C/CNC(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h3,5-10,13-14H,4,11H2,1-2H3/b5-3+
InChIKeyNFGCGKSZBXHYKD-HWKANZROSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
1-phenyl-N-(3-phenylprop-2-ynyl)propan-1-amine
CID 55060425
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
1-[4-[(E)-but-2-enoxy]phenyl]-N-propylpropan-1-amine
CID 60887233
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-phenylpropyl)but-2-en-1-amine?
The IUPAC name of (E)-N-(1-phenylpropyl)but-2-en-1-amine (CID 90302299) is (E)-N-(1-phenylpropyl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-phenylpropyl)but-2-en-1-amine?
The canonical SMILES for (E)-N-(1-phenylpropyl)but-2-en-1-amine is C/C=C/CNC(CC)c1ccccc1.
What is the InChIKey of (E)-N-(1-phenylpropyl)but-2-en-1-amine?
The InChIKey is NFGCGKSZBXHYKD-HWKANZROSA-N. The full InChI is InChI=1S/C13H19N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h3,5-10,13-14H,4,11H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(1-phenylpropyl)but-2-en-1-amine?
(E)-N-(1-phenylpropyl)but-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-phenylpropyl)but-2-en-1-amine is sourced from PubChem (CID 90302299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).