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

C12H25F2N3 — CID 145278392

IUPAC(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
SMILESCC.CC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C10H19F2N3.C2H6/c1-7-3-4-8(15(2)14)9(13)10(11,12)6-5-7;1-2/h7H,3-6,13-14H2,1-2H3;1-2H3/b9-8-;
InChIKeyXNLIIBGVIJPPTL-UOQXYWCXSA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds1

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

(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane (PubChem CID 145278392) has the molecular formula C12H25F2N3 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
PubChem CID145278392
Molecular FormulaC12H25F2N3
Molecular Weight249.35 g/mol
Exact Mass249.20
IUPAC Name(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
SMILESCC.CC1CC/C(N(C)N)=C(/N)C(F)(F)CC1
InChIInChI=1S/C10H19F2N3.C2H6/c1-7-3-4-8(15(2)14)9(13)10(11,12)6-5-7;1-2/h7H,3-6,13-14H2,1-2H3;1-2H3/b9-8-;
InChIKeyXNLIIBGVIJPPTL-UOQXYWCXSA-N
XLogP2.83
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.83
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]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
CID 145278390
(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]-8,8-difluoro-5-methylcycloocten-1-amine;ethane?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane (CID 145278392) is (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane is CC.CC1CC/C(N(C)N)=C(/N)C(F)(F)CC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane?
The InChIKey is XNLIIBGVIJPPTL-UOQXYWCXSA-N. The full InChI is InChI=1S/C10H19F2N3.C2H6/c1-7-3-4-8(15(2)14)9(13)10(11,12)6-5-7;1-2/h7H,3-6,13-14H2,1-2H3;1-2H3/b9-8-;.
What are the key properties of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane?
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane has a molecular weight of 249.35 g/mol, XLogP of 2.83, 1 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]-8,8-difluoro-5-methylcycloocten-1-amine;ethane is sourced from PubChem (CID 145278392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).