N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C16H29F3N2 — CID 62255873

IUPACN-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C16H29F3N2/c1-2-10-20-11-15(8-4-3-5-9-15)12-21(14-6-7-14)13-16(17,18)19/h14,20H,2-13H2,1H3
InChIKeyMRHZZHNRUQAFIP-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.96
Rot. Bonds8

About N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62255873) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62255873
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC NameN-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C16H29F3N2/c1-2-10-20-11-15(8-4-3-5-9-15)12-21(14-6-7-14)13-16(17,18)19/h14,20H,2-13H2,1H3
InChIKeyMRHZZHNRUQAFIP-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62255873) is N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1.
What is the InChIKey of N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is MRHZZHNRUQAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-2-10-20-11-15(8-4-3-5-9-15)12-21(14-6-7-14)13-16(17,18)19/h14,20H,2-13H2,1H3.
What are the key properties of N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 306.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(propylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62255873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).