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

C14H23F3N2 — CID 62554001

IUPACN'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CN(CCNC(C1CC1)C1CC1)C1CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)9-19(12-5-6-12)8-7-18-13(10-1-2-10)11-3-4-11/h10-13,18H,1-9H2
InChIKeyMQTGCQCBPWLJMT-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.79
Rot. Bonds8

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

N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554001) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554001
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CN(CCNC(C1CC1)C1CC1)C1CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)9-19(12-5-6-12)8-7-18-13(10-1-2-10)11-3-4-11/h10-13,18H,1-9H2
InChIKeyMQTGCQCBPWLJMT-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554001) is N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is FC(F)(F)CN(CCNC(C1CC1)C1CC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MQTGCQCBPWLJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)9-19(12-5-6-12)8-7-18-13(10-1-2-10)11-3-4-11/h10-13,18H,1-9H2.
What are the key properties of N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 276.35 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(dicyclopropylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).