N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine

C13H27NO — CID 62108177

IUPACN-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCOC1(CNC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-6-8-13(15-5,9-7-11)10-14-12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyAOBPCSJADLLRDE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds3

About N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine

N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 62108177) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID62108177
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCOC1(CNC(C)(C)C)CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-6-8-13(15-5,9-7-11)10-14-12(2,3)4/h11,14H,6-10H2,1-5H3
InChIKeyAOBPCSJADLLRDE-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine (CID 62108177) is N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine is COC1(CNC(C)(C)C)CCC(C)CC1.
What is the InChIKey of N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is AOBPCSJADLLRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-6-8-13(15-5,9-7-11)10-14-12(2,3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxy-4-methylcyclohexyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).