N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine

C19H21N — CID 101129469

IUPACN-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine
SMILESC/C=C(\c1ccccc1)C1(NCc2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-2-18(17-11-7-4-8-12-17)19(13-14-19)20-15-16-9-5-3-6-10-16/h2-12,20H,13-15H2,1H3/b18-2+
InChIKeyNAJCXGCCFHWHAV-LPRJTOQXSA-N
MW263.38 g/mol
LogP4.41
Rot. Bonds5

About N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine

N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine (PubChem CID 101129469) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine
PubChem CID101129469
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine
SMILESC/C=C(\c1ccccc1)C1(NCc2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-2-18(17-11-7-4-8-12-17)19(13-14-19)20-15-16-9-5-3-6-10-16/h2-12,20H,13-15H2,1H3/b18-2+
InChIKeyNAJCXGCCFHWHAV-LPRJTOQXSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
CID 101129463
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
3-(benzylamino)-1,1-dioxothiolane-3-carboxylic acid
CID 63165985
1-(benzylamino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752274
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
CID 79852336

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine?
The IUPAC name of N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine (CID 101129469) is N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine.
What is the SMILES notation for N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine?
The canonical SMILES for N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine is C/C=C(\c1ccccc1)C1(NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine?
The InChIKey is NAJCXGCCFHWHAV-LPRJTOQXSA-N. The full InChI is InChI=1S/C19H21N/c1-2-18(17-11-7-4-8-12-17)19(13-14-19)20-15-16-9-5-3-6-10-16/h2-12,20H,13-15H2,1H3/b18-2+.
What are the key properties of N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine?
N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(E)-1-phenylprop-1-enyl]cyclopropan-1-amine is sourced from PubChem (CID 101129469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).