N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine

C18H29NO — CID 83045552

IUPACN-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
SMILESCCCC(CNCC(C)C)OC/C=C/c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-9-18(15-19-14-16(2)3)20-13-8-12-17-10-6-5-7-11-17/h5-8,10-12,16,18-19H,4,9,13-15H2,1-3H3/b12-8+
InChIKeyJIFABQPPLNLXSN-XYOKQWHBSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds10

About N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine

N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine (PubChem CID 83045552) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
PubChem CID83045552
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
SMILESCCCC(CNCC(C)C)OC/C=C/c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-9-18(15-19-14-16(2)3)20-13-8-12-17-10-6-5-7-11-17/h5-8,10-12,16,18-19H,4,9,13-15H2,1-3H3/b12-8+
InChIKeyJIFABQPPLNLXSN-XYOKQWHBSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943787
2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
CID 76943857
N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943783
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
2-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83046443
2-methyl-N-[2-(2-methylpentoxy)-2-phenylethyl]propan-1-amine
CID 103285722
2-methyl-N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623658
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
N-benzyl-2-ethoxypentan-1-amine
CID 175401968
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(2-methylpropyl)pentan-1-amine
CID 83043931

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine (CID 83045552) is N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine is CCCC(CNCC(C)C)OC/C=C/c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine?
The InChIKey is JIFABQPPLNLXSN-XYOKQWHBSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-9-18(15-19-14-16(2)3)20-13-8-12-17-10-6-5-7-11-17/h5-8,10-12,16,18-19H,4,9,13-15H2,1-3H3/b12-8+.
What are the key properties of N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine?
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine is sourced from PubChem (CID 83045552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).