N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine

C10H19F3N2 — CID 115520291

IUPACN'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
SMILESFC(F)(F)CCCCNCCNC1CC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)5-1-2-6-14-7-8-15-9-3-4-9/h9,14-15H,1-8H2
InChIKeyALLIRIFVBNNLQS-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.06
Rot. Bonds8

About N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine

N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine (PubChem CID 115520291) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
PubChem CID115520291
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
SMILESFC(F)(F)CCCCNCCNC1CC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)5-1-2-6-14-7-8-15-9-3-4-9/h9,14-15H,1-8H2
InChIKeyALLIRIFVBNNLQS-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine (CID 115520291) is N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine is FC(F)(F)CCCCNCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The InChIKey is ALLIRIFVBNNLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)5-1-2-6-14-7-8-15-9-3-4-9/h9,14-15H,1-8H2.
What are the key properties of N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine is sourced from PubChem (CID 115520291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).