1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine

C12H25FN2 — CID 80698860

IUPAC1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
SMILESCCN(CCF)C1(CN)CCCC(C)C1
InChIInChI=1S/C12H25FN2/c1-3-15(8-7-13)12(10-14)6-4-5-11(2)9-12/h11H,3-10,14H2,1-2H3
InChIKeyGPODIFZQNFVSBH-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.19
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine (PubChem CID 80698860) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
PubChem CID80698860
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
SMILESCCN(CCF)C1(CN)CCCC(C)C1
InChIInChI=1S/C12H25FN2/c1-3-15(8-7-13)12(10-14)6-4-5-11(2)9-12/h11H,3-10,14H2,1-2H3
InChIKeyGPODIFZQNFVSBH-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropyl-N-methylacetamide
CID 62007123
1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-[(2,5-dimethylphenyl)methyl]-N-ethyl-3-methylcyclohexan-1-amine
CID 63485979

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine (CID 80698860) is 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine is CCN(CCF)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine?
The InChIKey is GPODIFZQNFVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-3-15(8-7-13)12(10-14)6-4-5-11(2)9-12/h11H,3-10,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine has a molecular weight of 216.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 80698860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).