3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

C16H29F3N2 — CID 60854964

IUPAC3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CC(NCC2CCN(CC(F)(F)F)C2)CC(C)(C)C1
InChIInChI=1S/C16H29F3N2/c1-12-6-14(8-15(2,3)7-12)20-9-13-4-5-21(10-13)11-16(17,18)19/h12-14,20H,4-11H2,1-3H3
InChIKeyYHOCBZWCMPAXFQ-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.67
Rot. Bonds4

About 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (PubChem CID 60854964) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
PubChem CID60854964
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CC(NCC2CCN(CC(F)(F)F)C2)CC(C)(C)C1
InChIInChI=1S/C16H29F3N2/c1-12-6-14(8-15(2,3)7-12)20-9-13-4-5-21(10-13)11-16(17,18)19/h12-14,20H,4-11H2,1-3H3
InChIKeyYHOCBZWCMPAXFQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (CID 60854964) is 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is CC1CC(NCC2CCN(CC(F)(F)F)C2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is YHOCBZWCMPAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-12-6-14(8-15(2,3)7-12)20-9-13-4-5-21(10-13)11-16(17,18)19/h12-14,20H,4-11H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 60854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).