N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline

C17H27NO — CID 64738333

IUPACN-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline
SMILESCC1CCC(OCCCNc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-14-9-10-17(13-15(14)2)19-12-6-11-18-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3
InChIKeyLERJOTISQFAKML-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.33
Rot. Bonds6

About N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline

N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline (PubChem CID 64738333) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline.

Molecular Properties

Compound NameN-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline
PubChem CID64738333
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline
SMILESCC1CCC(OCCCNc2ccccc2)CC1C
InChIInChI=1S/C17H27NO/c1-14-9-10-17(13-15(14)2)19-12-6-11-18-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3
InChIKeyLERJOTISQFAKML-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.33
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-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline
CID 64739736
N-(12-ethoxydodecyl)aniline
CID 54545171
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]aniline
CID 114342570
N-(12-dodecoxydodecyl)aniline
CID 54486065
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
N-(4-methoxybutyl)aniline
CID 13042774
[3-[3-(3,4-dimethylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 64744334
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
[1-bromo-2-(3,4-dimethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774396
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
CID 62566177
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline?
The IUPAC name of N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline (CID 64738333) is N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline.
What is the SMILES notation for N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline?
The canonical SMILES for N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline is CC1CCC(OCCCNc2ccccc2)CC1C.
What is the InChIKey of N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline?
The InChIKey is LERJOTISQFAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-9-10-17(13-15(14)2)19-12-6-11-18-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,6,9-13H2,1-2H3.
What are the key properties of N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline?
N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylcyclohexyl)oxypropyl]aniline is sourced from PubChem (CID 64738333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).