N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine

C22H27N — CID 102476940

IUPACN-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
SMILESC(=C/c1ccccc1)\CN(CCCc1ccccc1)CC1CC1
InChIInChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23(19-22-15-16-22)18-8-14-21-11-5-2-6-12-21/h1-7,9-13,22H,8,14-19H2/b13-7+
InChIKeyMDSFRMMSKQIDDL-NTUHNPAUSA-N
MW305.47 g/mol
LogP5.04
Rot. Bonds9

About N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine

N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine (PubChem CID 102476940) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
PubChem CID102476940
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC NameN-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
SMILESC(=C/c1ccccc1)\CN(CCCc1ccccc1)CC1CC1
InChIInChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23(19-22-15-16-22)18-8-14-21-11-5-2-6-12-21/h1-7,9-13,22H,8,14-19H2/b13-7+
InChIKeyMDSFRMMSKQIDDL-NTUHNPAUSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
N',N'-dibenzyl-N,N-bis(cyclohexylmethyl)but-2-ene-1,4-diamine
CID 57036974
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
4-cyclopropylbutylbenzene
CID 10261592
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632
N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
CID 23967601
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine (CID 102476940) is N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine is C(=C/c1ccccc1)\CN(CCCc1ccccc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The InChIKey is MDSFRMMSKQIDDL-NTUHNPAUSA-N. The full InChI is InChI=1S/C22H27N/c1-3-9-20(10-4-1)13-7-17-23(19-22-15-16-22)18-8-14-21-11-5-2-6-12-21/h1-7,9-13,22H,8,14-19H2/b13-7+.
What are the key properties of N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propan-1-amine is sourced from PubChem (CID 102476940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).