3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine

C13H28N2O — CID 81055685

IUPAC3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
SMILESCC(C)OCCN(C)CC1CCCC(N)C1
InChIInChI=1S/C13H28N2O/c1-11(2)16-8-7-15(3)10-12-5-4-6-13(14)9-12/h11-13H,4-10,14H2,1-3H3
InChIKeyPIRQCVHPRPEKGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine

3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 81055685) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
PubChem CID81055685
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
SMILESCC(C)OCCN(C)CC1CCCC(N)C1
InChIInChI=1S/C13H28N2O/c1-11(2)16-8-7-15(3)10-12-5-4-6-13(14)9-12/h11-13H,4-10,14H2,1-3H3
InChIKeyPIRQCVHPRPEKGY-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-yloxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 81055965
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
3-[[3-methoxypropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008015
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63045256
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074510
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
N'-cyclohexyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 63759697
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81067383
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyrrolidin-3-ol
CID 81056012

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine (CID 81055685) is 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine is CC(C)OCCN(C)CC1CCCC(N)C1.
What is the InChIKey of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is PIRQCVHPRPEKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)16-8-7-15(3)10-12-5-4-6-13(14)9-12/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine?
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 81055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).