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

C13H27F2N3 — CID 145278390

IUPAC(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
SMILESCC.CCC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3.C2H6/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8;1-2/h8H,3-7,14-15H2,1-2H3;1-2H3/b10-9-;
InChIKeyOJQVWYWVRMZXON-KVVVOXFISA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds2

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

(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane (PubChem CID 145278390) has the molecular formula C13H27F2N3 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
PubChem CID145278390
Molecular FormulaC13H27F2N3
Molecular Weight263.38 g/mol
Exact Mass263.22
IUPAC Name(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
SMILESCC.CCC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3.C2H6/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8;1-2/h8H,3-7,14-15H2,1-2H3;1-2H3/b10-9-;
InChIKeyOJQVWYWVRMZXON-KVVVOXFISA-N
XLogP3.22
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
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'}

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Related Compounds

1-[6-Methyl-2-(1,1,1-trifluorobutan-2-yl)cyclohexen-1-yl]-1-propan-2-ylhydrazine
CID 135215653
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluorocycloocten-1-amine
CID 139480575
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine
CID 139481219
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 145278392
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 146507553
(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
CID 146507775
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 153352608
(1Z)-3,3-difluoro-1-N,4-dimethylcyclooctene-1,2-diamine;ethane
CID 155745231
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
CID 170135743
(1Z)-2-N,2-N-diamino-3,3-difluoro-6-methylcyclooctene-1,2-diamine
CID 177230257
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
CID 145278391
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 145278393

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane (CID 145278390) is (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane is CC.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;ethane?
The InChIKey is OJQVWYWVRMZXON-KVVVOXFISA-N. The full InChI is InChI=1S/C11H21F2N3.C2H6/c1-3-8-4-5-9(16(2)15)10(14)11(12,13)7-6-8;1-2/h8H,3-7,14-15H2,1-2H3;1-2H3/b10-9-;.
What are the key properties of (1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane?
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane has a molecular weight of 263.38 g/mol, XLogP of 3.22, 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;ethane is sourced from PubChem (CID 145278390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).