N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine

C16H31F3N2 — CID 79063262

IUPACN,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H31F3N2/c1-4-13-20-14(9-12-16(17,18)19)15(21(2)3)10-7-5-6-8-11-15/h14,20H,4-13H2,1-3H3
InChIKeyWKOKGMFQSZVAJP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.35
Rot. Bonds7

About N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine

N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine (PubChem CID 79063262) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
PubChem CID79063262
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC NameN,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H31F3N2/c1-4-13-20-14(9-12-16(17,18)19)15(21(2)3)10-7-5-6-8-11-15/h14,20H,4-13H2,1-3H3
InChIKeyWKOKGMFQSZVAJP-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine (CID 79063262) is N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine is CCCNC(CCC(F)(F)F)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine?
The InChIKey is WKOKGMFQSZVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-13-20-14(9-12-16(17,18)19)15(21(2)3)10-7-5-6-8-11-15/h14,20H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine?
N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine is sourced from PubChem (CID 79063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).