1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

C12H23F3N2 — CID 64552919

IUPAC1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C12H23F3N2/c1-17(9-8-12(13,14)15)11(10-16)6-4-2-3-5-7-11/h2-10,16H2,1H3
InChIKeyBKLMNMONKQBNSJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (PubChem CID 64552919) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
PubChem CID64552919
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCN(CCC(F)(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C12H23F3N2/c1-17(9-8-12(13,14)15)11(10-16)6-4-2-3-5-7-11/h2-10,16H2,1H3
InChIKeyBKLMNMONKQBNSJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552096
1-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115513364
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64552298
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
CID 63467204
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 62010329
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (CID 64552919) is 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is CN(CCC(F)(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The InChIKey is BKLMNMONKQBNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-17(9-8-12(13,14)15)11(10-16)6-4-2-3-5-7-11/h2-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is sourced from PubChem (CID 64552919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).