N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine

C14H26F3NO — CID 66276385

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-11(2)18-10-13(8-6-4-5-7-9-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeySBKFQIPAWNLGOG-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine (PubChem CID 66276385) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
PubChem CID66276385
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCCCC1
InChIInChI=1S/C14H26F3NO/c1-11(2)18-10-13(8-6-4-5-7-9-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeySBKFQIPAWNLGOG-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine (CID 66276385) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine is CC(C)NCC1(OC(C)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
The InChIKey is SBKFQIPAWNLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2)18-10-13(8-6-4-5-7-9-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 66276385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).