4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

C11H19F3N2 — CID 79206988

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC(C)N(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9-3-4-10(15)5-9/h3-4,8-10H,5-7,15H2,1-2H3
InChIKeyKJAYCSISCUBTGD-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.16
Rot. Bonds4

About 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79206988) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79206988
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC(C)N(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9-3-4-10(15)5-9/h3-4,8-10H,5-7,15H2,1-2H3
InChIKeyKJAYCSISCUBTGD-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(Z)-4-(2-fluoropropyl)-1-N,1-N-dimethylhex-2-ene-1,5-diamine
CID 89176341
5-(aminomethyl)-3-fluoro-N,N-dimethylcyclohex-2-en-1-amine
CID 117694656
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406
(Z)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061415
N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
CID 134201178
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743

Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79206988) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is CC(C)N(CC1C=CC(N)C1)CC(F)(F)F.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is KJAYCSISCUBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-8(2)16(7-11(12,13)14)6-9-3-4-10(15)5-9/h3-4,8-10H,5-7,15H2,1-2H3.
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).