2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C12H23F3N2 — CID 103070142

IUPAC2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-5-6-17(9-12(13,14)15)8-11(4)7-16-10(2)3/h10,16H,4-9H2,1-3H3
InChIKeySBGKIJNMHCMKDI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.81
Rot. Bonds8

About 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 103070142) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID103070142
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESC=C(CNC(C)C)CN(CCC)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-5-6-17(9-12(13,14)15)8-11(4)7-16-10(2)3/h10,16H,4-9H2,1-3H3
InChIKeySBGKIJNMHCMKDI-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 103070142) is 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is C=C(CNC(C)C)CN(CCC)CC(F)(F)F.
What is the InChIKey of 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is SBGKIJNMHCMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-5-6-17(9-12(13,14)15)8-11(4)7-16-10(2)3/h10,16H,4-9H2,1-3H3.
What are the key properties of 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 103070142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).