N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine

C13H27NO — CID 62725178

IUPACN-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
SMILESCNCC1(CCOC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)15-10-9-13(11-14-3)7-5-4-6-8-13/h12,14H,4-11H2,1-3H3
InChIKeyHQNKACRRZADCCJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine

N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine (PubChem CID 62725178) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
PubChem CID62725178
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
SMILESCNCC1(CCOC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)15-10-9-13(11-14-3)7-5-4-6-8-13/h12,14H,4-11H2,1-3H3
InChIKeyHQNKACRRZADCCJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]cyclobutyl]methanamine
CID 65194527
4-[(propan-2-ylamino)methyl]-4-(2-propan-2-yloxyethyl)cyclohexan-1-ol
CID 112745404
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
1-[1-(2-ethylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 62724580
N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]propan-2-amine
CID 82953013

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine (CID 62725178) is N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine is CNCC1(CCOC(C)C)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine?
The InChIKey is HQNKACRRZADCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)15-10-9-13(11-14-3)7-5-4-6-8-13/h12,14H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine?
N-methyl-1-[1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 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-propan-2-yloxyethyl)cyclohexyl]methanamine is sourced from PubChem (CID 62725178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).