N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine

C14H26F3NO — CID 66275943

IUPACN-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)C(F)(F)F)CCC(C)CC1
InChIInChI=1S/C14H26F3NO/c1-4-9-18-10-13(7-5-11(2)6-8-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyHPCPJMGVDSRBAU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds6

About N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine

N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 66275943) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
PubChem CID66275943
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C)C(F)(F)F)CCC(C)CC1
InChIInChI=1S/C14H26F3NO/c1-4-9-18-10-13(7-5-11(2)6-8-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyHPCPJMGVDSRBAU-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 62110752
1-(iodomethyl)-4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexane
CID 114774560
N-[[4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-1-amine
CID 115942646
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 102723011
N-[[1-(3,5-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-1-amine
CID 64732041
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 102984869

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine (CID 66275943) is N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OC(C)C(F)(F)F)CCC(C)CC1.
What is the InChIKey of N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is HPCPJMGVDSRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-9-18-10-13(7-5-11(2)6-8-13)19-12(3)14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 66275943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).