N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine

C12H23NO — CID 102633357

IUPACN-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine
SMILESC=C(C)CCOC1CCCCC1NC
InChIInChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h11-13H,1,4-9H2,2-3H3
InChIKeyICJRNFQOSLIZNR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine

N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine (PubChem CID 102633357) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine
PubChem CID102633357
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine
SMILESC=C(C)CCOC1CCCCC1NC
InChIInChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h11-13H,1,4-9H2,2-3H3
InChIKeyICJRNFQOSLIZNR-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-4-methylidenecyclohexan-1-amine
CID 91590326
2-methyl-N-[[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 929047
[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795242
2-methyl-N-[[(2S,6R)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795243
[(2R,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 1795244
2-methyl-N-[[(2R,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 1795245
2-methyl-N-[(6-methyl-4-methylideneoxan-2-yl)methyl]propan-1-amine
CID 3746450
[(2R,6R)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 6955137
[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl-(2-methylpropyl)azanium
CID 7077086
2-methyl-N-[[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]methyl]propan-1-amine
CID 7077087
N-(2-but-3-enoxypropyl)cyclohexanamine
CID 62599035
2-ethoxy-N-methyl-5-methylideneheptan-3-amine
CID 66037099

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine (CID 102633357) is N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine is C=C(C)CCOC1CCCCC1NC.
What is the InChIKey of N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The InChIKey is ICJRNFQOSLIZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-9-14-12-7-5-4-6-11(12)13-3/h11-13H,1,4-9H2,2-3H3.
What are the key properties of N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine?
N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 102633357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).