1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane

C18H29NO — CID 143504633

IUPAC1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane
SMILESC=C(OCc1ccccc1)C1(N)CCCCC1.CCC
InChIInChI=1S/C15H21NO.C3H8/c1-13(15(16)10-6-3-7-11-15)17-12-14-8-4-2-5-9-14;1-3-2/h2,4-5,8-9H,1,3,6-7,10-12,16H2;3H2,1-2H3
InChIKeyZBHZBDKONNQFDV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.79
Rot. Bonds4

About 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane

1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane (PubChem CID 143504633) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane.

Molecular Properties

Compound Name1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane
PubChem CID143504633
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane
SMILESC=C(OCc1ccccc1)C1(N)CCCCC1.CCC
InChIInChI=1S/C15H21NO.C3H8/c1-13(15(16)10-6-3-7-11-15)17-12-14-8-4-2-5-9-14;1-3-2/h2,4-5,8-9H,1,3,6-7,10-12,16H2;3H2,1-2H3
InChIKeyZBHZBDKONNQFDV-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
1-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 69040282
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
1-amino-2-phenylmethoxycarbonylcyclodecane-1-carboxylic acid
CID 170988150
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
benzyl (2R)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394033
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
benzyl (2S)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394034
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
benzyl 1-formylcyclohexane-1-carboxylate
CID 18623884

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane?
The IUPAC name of 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane (CID 143504633) is 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane.
What is the SMILES notation for 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane?
The canonical SMILES for 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane is C=C(OCc1ccccc1)C1(N)CCCCC1.CCC.
What is the InChIKey of 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane?
The InChIKey is ZBHZBDKONNQFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C3H8/c1-13(15(16)10-6-3-7-11-15)17-12-14-8-4-2-5-9-14;1-3-2/h2,4-5,8-9H,1,3,6-7,10-12,16H2;3H2,1-2H3.
What are the key properties of 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane?
1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane has a molecular weight of 275.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane is sourced from PubChem (CID 143504633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).