[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine

C17H26N2O2 — CID 65424678

IUPAC[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H26N2O2/c1-2-5-14-8-10-17(13-18,11-9-14)12-15-6-3-4-7-16(15)19(20)21/h3-4,6-7,14H,2,5,8-13,18H2,1H3
InChIKeyHWWOSHZRPAOZRY-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.07
Rot. Bonds6

About [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine

[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine (PubChem CID 65424678) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
PubChem CID65424678
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(Cc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H26N2O2/c1-2-5-14-8-10-17(13-18,11-9-14)12-15-6-3-4-7-16(15)19(20)21/h3-4,6-7,14H,2,5,8-13,18H2,1H3
InChIKeyHWWOSHZRPAOZRY-UHFFFAOYSA-N
XLogP4.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
[4-ethyl-1-[(2-fluoro-3-nitrophenyl)methyl]cyclohexyl]methanamine
CID 107353703
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
[1-[(4-bromo-2-nitrophenyl)methyl]cyclohexyl]methanamine
CID 114382765
[1-[(4-bromo-2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 114382779
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
[3-[2-(2-nitrophenyl)ethyl]oxolan-3-yl]methanamine
CID 65393225
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864

Frequently Asked Questions

What is the IUPAC name of [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine (CID 65424678) is [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(Cc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine?
The InChIKey is HWWOSHZRPAOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-5-14-8-10-17(13-18,11-9-14)12-15-6-3-4-7-16(15)19(20)21/h3-4,6-7,14H,2,5,8-13,18H2,1H3.
What are the key properties of [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine?
[1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-nitrophenyl)methyl]-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 65424678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).