N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine

C18H29NO — CID 76943787

IUPACN-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESCC(C)CNCCCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-16(2)15-19-13-7-9-17(3)20-14-8-12-18-10-5-4-6-11-18/h4-6,8,10-12,16-17,19H,7,9,13-15H2,1-3H3
InChIKeyBJGXXUZZOSECAH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.13
Rot. Bonds10

About N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine

N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine (PubChem CID 76943787) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
PubChem CID76943787
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine
SMILESCC(C)CNCCCC(C)OCC=Cc1ccccc1
InChIInChI=1S/C18H29NO/c1-16(2)15-19-13-7-9-17(3)20-14-8-12-18-10-5-4-6-11-18/h4-6,8,10-12,16-17,19H,7,9,13-15H2,1-3H3
InChIKeyBJGXXUZZOSECAH-UHFFFAOYSA-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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943783
2-(3-phenylprop-2-enoxy)-N-propylpropan-1-amine
CID 76943857
N-(2-methylpropyl)-2-[(E)-3-phenylprop-2-enoxy]pentan-1-amine
CID 83045552
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
2-methyl-N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623658
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine (CID 76943787) is N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine is CC(C)CNCCCC(C)OCC=Cc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine?
The InChIKey is BJGXXUZZOSECAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-16(2)15-19-13-7-9-17(3)20-14-8-12-18-10-5-4-6-11-18/h4-6,8,10-12,16-17,19H,7,9,13-15H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-(3-phenylprop-2-enoxy)pentan-1-amine?
N-(2-methylpropyl)-4-(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)-4-(3-phenylprop-2-enoxy)pentan-1-amine is sourced from PubChem (CID 76943787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).