N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine

C17H25NO — CID 114619807

IUPACN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C17H25NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h4,6-8,10-11,14,16,18H,3,5,9,12-13H2,1-2H3
InChIKeyIJCGOLWUEVNVPN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds6

About N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 114619807) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID114619807
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OC2C=CCCC2)c1
InChIInChI=1S/C17H25NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h4,6-8,10-11,14,16,18H,3,5,9,12-13H2,1-2H3
InChIKeyIJCGOLWUEVNVPN-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
CID 114619845
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
5-[(3-cyclopentyloxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448819
2-[[(3-cyclopentyloxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073142
N-[(3-chlorophenyl)methyl]-2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]propan-1-amine
CID 134248679
[3-[(2-methylpropylamino)methyl]phenyl] ethanesulfonate
CID 3321893
4-(3-cyclohex-2-en-1-yloxyphenyl)-1-phosphonobutane-1-sulfonic acid
CID 19705869
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
2-[(1S,3R)-3-(3-methylphenoxy)cyclohexyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 134248673
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
N-[(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methyl]propan-2-amine
CID 114619873

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine (CID 114619807) is N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(OC2C=CCCC2)c1.
What is the InChIKey of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is IJCGOLWUEVNVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)12-18-13-15-7-6-10-17(11-15)19-16-8-4-3-5-9-16/h4,6-8,10-11,14,16,18H,3,5,9,12-13H2,1-2H3.
What are the key properties of N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114619807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).