N-propyl-1-(trifluoromethyl)cyclododecan-1-amine

C16H30F3N — CID 66206608

IUPACN-propyl-1-(trifluoromethyl)cyclododecan-1-amine
SMILESCCCNC1(C(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C16H30F3N/c1-2-14-20-15(16(17,18)19)12-10-8-6-4-3-5-7-9-11-13-15/h20H,2-14H2,1H3
InChIKeyGLDUROSJDZXYCG-UHFFFAOYSA-N
MW293.42 g/mol
LogP5.59
Rot. Bonds3

About N-propyl-1-(trifluoromethyl)cyclododecan-1-amine

N-propyl-1-(trifluoromethyl)cyclododecan-1-amine (PubChem CID 66206608) has the molecular formula C16H30F3N and a molecular weight of 293.42 g/mol. Its IUPAC name is N-propyl-1-(trifluoromethyl)cyclododecan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(trifluoromethyl)cyclododecan-1-amine
PubChem CID66206608
Molecular FormulaC16H30F3N
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC NameN-propyl-1-(trifluoromethyl)cyclododecan-1-amine
SMILESCCCNC1(C(F)(F)F)CCCCCCCCCCC1
InChIInChI=1S/C16H30F3N/c1-2-14-20-15(16(17,18)19)12-10-8-6-4-3-5-7-9-11-13-15/h20H,2-14H2,1H3
InChIKeyGLDUROSJDZXYCG-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(trifluoromethyl)cyclododecan-1-amine?
The IUPAC name of N-propyl-1-(trifluoromethyl)cyclododecan-1-amine (CID 66206608) is N-propyl-1-(trifluoromethyl)cyclododecan-1-amine.
What is the SMILES notation for N-propyl-1-(trifluoromethyl)cyclododecan-1-amine?
The canonical SMILES for N-propyl-1-(trifluoromethyl)cyclododecan-1-amine is CCCNC1(C(F)(F)F)CCCCCCCCCCC1.
What is the InChIKey of N-propyl-1-(trifluoromethyl)cyclododecan-1-amine?
The InChIKey is GLDUROSJDZXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N/c1-2-14-20-15(16(17,18)19)12-10-8-6-4-3-5-7-9-11-13-15/h20H,2-14H2,1H3.
What are the key properties of N-propyl-1-(trifluoromethyl)cyclododecan-1-amine?
N-propyl-1-(trifluoromethyl)cyclododecan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(trifluoromethyl)cyclododecan-1-amine is sourced from PubChem (CID 66206608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).