N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine

C12H23NO — CID 102633395

IUPACN-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine
SMILESC=C(CC)COC1CCCCC1NC
InChIInChI=1S/C12H23NO/c1-4-10(2)9-14-12-8-6-5-7-11(12)13-3/h11-13H,2,4-9H2,1,3H3
InChIKeyNJAPCGUZNMVZIX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine

N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine (PubChem CID 102633395) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine
PubChem CID102633395
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine
SMILESC=C(CC)COC1CCCCC1NC
InChIInChI=1S/C12H23NO/c1-4-10(2)9-14-12-8-6-5-7-11(12)13-3/h11-13H,2,4-9H2,1,3H3
InChIKeyNJAPCGUZNMVZIX-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-Hex-1-en-2-ylmorpholine
CID 68588537
2-Pent-1-en-2-ylmorpholine
CID 68590326
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
2-(But-3-en-2-yloxymethyl)piperidine
CID 62382129
2-ethoxy-N-methyl-5-methylideneheptan-3-amine
CID 66037099
2-ethoxy-N-ethyl-5-methylideneheptan-3-amine
CID 66037100
2-ethoxy-5-methylidene-N-propylheptan-3-amine
CID 66037101
N-methyl-4-methylidene-1-propoxyhexan-2-amine
CID 66038271
1-ethoxy-N-methyl-4-methylidenehexan-2-amine
CID 66039965
2-(2-Methylidenebutoxymethyl)piperidine
CID 66045265
N-(2-cyclohexyloxyethyl)-2-methylidenebutan-1-amine
CID 66045708
2-ethoxy-N,5-dimethylhex-5-en-3-amine
CID 79185717

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine (CID 102633395) is N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine is C=C(CC)COC1CCCCC1NC.
What is the InChIKey of N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine?
The InChIKey is NJAPCGUZNMVZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)9-14-12-8-6-5-7-11(12)13-3/h11-13H,2,4-9H2,1,3H3.
What are the key properties of N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine?
N-methyl-2-(2-methylidenebutoxy)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-(2-methylidenebutoxy)cyclohexan-1-amine is sourced from PubChem (CID 102633395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).