N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine

C12H22F3NO — CID 66274668

IUPACN-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
SMILESCC(OCCCCCCNC1CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-3-2-4-8-16-11-6-7-11/h10-11,16H,2-9H2,1H3
InChIKeyIVMPFPQGBMUYHP-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds9

About N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine

N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine (PubChem CID 66274668) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
PubChem CID66274668
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
SMILESCC(OCCCCCCNC1CC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-3-2-4-8-16-11-6-7-11/h10-11,16H,2-9H2,1H3
InChIKeyIVMPFPQGBMUYHP-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 66276196
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]hexan-1-amine
CID 66276841
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine (CID 66274668) is N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine is CC(OCCCCCCNC1CC1)C(F)(F)F.
What is the InChIKey of N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine?
The InChIKey is IVMPFPQGBMUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(12(13,14)15)17-9-5-3-2-4-8-16-11-6-7-11/h10-11,16H,2-9H2,1H3.
What are the key properties of N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine?
N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine is sourced from PubChem (CID 66274668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).