N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

C13H24F3NO — CID 66274569

IUPACN-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCCCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11-7-5-4-6-8-12(11)18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDRJREQBKSIOAGN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.65
Rot. Bonds5

About N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (PubChem CID 66274569) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
PubChem CID66274569
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCCCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11-7-5-4-6-8-12(11)18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDRJREQBKSIOAGN-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
CID 55036153
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
CID 94302756
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
CID 94302774
2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 106426795
2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The IUPAC name of N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (CID 66274569) is N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.
What is the SMILES notation for N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The canonical SMILES for N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is CCCNC1CCCCCC1OC(C)C(F)(F)F.
What is the InChIKey of N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The InChIKey is DRJREQBKSIOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-9-17-11-7-5-4-6-8-12(11)18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is sourced from PubChem (CID 66274569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).