N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine

C12H22F3N — CID 43747435

IUPACN-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyYVAQSSSDCONABV-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds4

About N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine

N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747435) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747435
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCC(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyYVAQSSSDCONABV-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 106023449
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
N-pentan-2-ylcyclooctanamine
CID 43079432
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788012
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747435) is N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine is CCCC(C)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YVAQSSSDCONABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine?
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).