1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine

C19H31NO — CID 63456305

IUPAC1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCCCOc1ccc(CNC2(C)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-4-8-15-21-18-11-9-17(10-12-18)16-20-19(2)13-6-5-7-14-19/h9-12,20H,3-8,13-16H2,1-2H3
InChIKeySBUCXHDRENNRAO-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.07
Rot. Bonds8

About 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine

1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 63456305) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID63456305
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCCCCOc1ccc(CNC2(C)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-4-8-15-21-18-11-9-17(10-12-18)16-20-19(2)13-6-5-7-14-19/h9-12,20H,3-8,13-16H2,1-2H3
InChIKeySBUCXHDRENNRAO-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.07
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

4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
1,4-dipentoxybenzene
CID 18314717
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine (CID 63456305) is 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine is CCCCCOc1ccc(CNC2(C)CCCCC2)cc1.
What is the InChIKey of 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is SBUCXHDRENNRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-8-15-21-18-11-9-17(10-12-18)16-20-19(2)13-6-5-7-14-19/h9-12,20H,3-8,13-16H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine?
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63456305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).