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

C14H25F3N2 — CID 62555313

IUPACN-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-10(2)19(9-14(15,16)17)8-7-18-13(11-3-4-11)12-5-6-12/h10-13,18H,3-9H2,1-2H3
InChIKeyCLYKCDYCQYAOFH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds8

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

N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62555313) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62555313
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNC(C1CC1)C1CC1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-10(2)19(9-14(15,16)17)8-7-18-13(11-3-4-11)12-5-6-12/h10-13,18H,3-9H2,1-2H3
InChIKeyCLYKCDYCQYAOFH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62555313) is N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)N(CCNC(C1CC1)C1CC1)CC(F)(F)F.
What is the InChIKey of N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is CLYKCDYCQYAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-10(2)19(9-14(15,16)17)8-7-18-13(11-3-4-11)12-5-6-12/h10-13,18H,3-9H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).