N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H23F3N2 — CID 55089824

IUPACN'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2/c1-10(2)5-6-16-7-8-17(11-3-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKAYAVOSWEVDODQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds8

About N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55089824) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55089824
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)CCNCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H23F3N2/c1-10(2)5-6-16-7-8-17(11-3-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyKAYAVOSWEVDODQ-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
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'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55089824) is N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)CCNCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KAYAVOSWEVDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2)5-6-16-7-8-17(11-3-4-11)9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).