1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine

C12H21F3N2 — CID 79859572

IUPAC1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine
SMILESCC1(C)CCC(N(CC(F)(F)F)C2CC2)C1N
InChIInChI=1S/C12H21F3N2/c1-11(2)6-5-9(10(11)16)17(8-3-4-8)7-12(13,14)15/h8-10H,3-7,16H2,1-2H3
InChIKeyLFHJHPQJDCRAIT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.53
Rot. Bonds3

About 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine

1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine (PubChem CID 79859572) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine
PubChem CID79859572
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine
SMILESCC1(C)CCC(N(CC(F)(F)F)C2CC2)C1N
InChIInChI=1S/C12H21F3N2/c1-11(2)6-5-9(10(11)16)17(8-3-4-8)7-12(13,14)15/h8-10H,3-7,16H2,1-2H3
InChIKeyLFHJHPQJDCRAIT-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine (CID 79859572) is 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine is CC1(C)CCC(N(CC(F)(F)F)C2CC2)C1N.
What is the InChIKey of 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine?
The InChIKey is LFHJHPQJDCRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-11(2)6-5-9(10(11)16)17(8-3-4-8)7-12(13,14)15/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine?
1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3,3-dimethyl-1-N-(2,2,2-trifluoroethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 79859572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).