N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C16H28F3N — CID 105081119

IUPACN-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyNRDVWPOFGWOLDW-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds5

About N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105081119) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105081119
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C16H28F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyNRDVWPOFGWOLDW-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105081119) is N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1CCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is NRDVWPOFGWOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105081119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).