N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

C11H21F3N2 — CID 62428428

IUPACN'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCNCCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-15-7-3-2-4-8-16(10-5-6-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyWPTSEEPMXVIFQM-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds8

About N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (PubChem CID 62428428) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
PubChem CID62428428
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCNCCCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2/c1-15-7-3-2-4-8-16(10-5-6-10)9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyWPTSEEPMXVIFQM-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
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'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62568426
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
CID 64522169
2-amino-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylhexan-1-ol
CID 64826690
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554664
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (CID 62428428) is N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is CNCCCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The InChIKey is WPTSEEPMXVIFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-15-7-3-2-4-8-16(10-5-6-10)9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is sourced from PubChem (CID 62428428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).