N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine

C14H29NO — CID 106456830

IUPACN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOCC(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15-3)7-5-4-6-8-14/h13,15H,4-12H2,1-3H3
InChIKeyJTSCRDBMFXEARI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine

N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine (PubChem CID 106456830) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
PubChem CID106456830
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOCC(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15-3)7-5-4-6-8-14/h13,15H,4-12H2,1-3H3
InChIKeyJTSCRDBMFXEARI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62725178
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 106457015
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine (CID 106456830) is N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine is CNCC1(CCOCC(C)C)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is JTSCRDBMFXEARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)11-16-10-9-14(12-15-3)7-5-4-6-8-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine?
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 106456830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).