N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H23F3N2 — CID 55089671

IUPACN-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-17(10-12(13,14)15)8-7-16-9-11-5-3-4-6-11/h11,16H,2-10H2,1H3
InChIKeyZIJWXGSNXOUXEB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds7

About N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55089671) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55089671
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-17(10-12(13,14)15)8-7-16-9-11-5-3-4-6-11/h11,16H,2-10H2,1H3
InChIKeyZIJWXGSNXOUXEB-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55089671) is N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CCNCC1CCCC1)CC(F)(F)F.
What is the InChIKey of N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZIJWXGSNXOUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-17(10-12(13,14)15)8-7-16-9-11-5-3-4-6-11/h11,16H,2-10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).