(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine

C11H21F2N3 — CID 145278391

IUPAC(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
SMILESCCC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8/h8H,3-7,14-15H2,1-2H3/b10-9-
InChIKeyINSPCGJQRAWHNC-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds2

About (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine

(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine (PubChem CID 145278391) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
PubChem CID145278391
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
SMILESCCC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8/h8H,3-7,14-15H2,1-2H3/b10-9-
InChIKeyINSPCGJQRAWHNC-KTKRTIGZSA-N
XLogP2.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
4-ethyl-1-(2-fluoroethyl)cyclohexan-1-amine
CID 130515354
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N,N-dimethylpropanamide
CID 65118585
1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514290
ethane;ethene;ethylcyclobutane
CID 164586585

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine (CID 145278391) is (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine is CCC1CC/C(N(C)N)=C(/N)C(F)(F)CC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine?
The InChIKey is INSPCGJQRAWHNC-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8/h8H,3-7,14-15H2,1-2H3/b10-9-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine?
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine is sourced from PubChem (CID 145278391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).