N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine

C12H23NO — CID 145149824

IUPACN-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine
SMILESC=C(OC(C)C)N(C)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)14-11(3)13(4)12-8-6-5-7-9-12/h10,12H,3,5-9H2,1-2,4H3
InChIKeyCUHALMKLPMQRPF-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine

N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine (PubChem CID 145149824) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine
PubChem CID145149824
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine
SMILESC=C(OC(C)C)N(C)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10(2)14-11(3)13(4)12-8-6-5-7-9-12/h10,12H,3,5-9H2,1-2,4H3
InChIKeyCUHALMKLPMQRPF-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine (CID 145149824) is N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine is C=C(OC(C)C)N(C)C1CCCCC1.
What is the InChIKey of N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine?
The InChIKey is CUHALMKLPMQRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)14-11(3)13(4)12-8-6-5-7-9-12/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine?
N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine has a molecular weight of 197.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-yloxyethenyl)cyclohexanamine is sourced from PubChem (CID 145149824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).