(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine

C10H19F2N3 — CID 170135743

IUPAC(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
SMILESCC1CCCC/C(N(C)N)=C(/N)C1(F)F
InChIInChI=1S/C10H19F2N3/c1-7-5-3-4-6-8(15(2)14)9(13)10(7,11)12/h7H,3-6,13-14H2,1-2H3/b9-8-
InChIKeyDVVVFIQFCGKPSG-HJWRWDBZSA-N
MW219.28 g/mol
LogP1.81
Rot. Bonds1

About (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine

(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine (PubChem CID 170135743) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
PubChem CID170135743
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine
SMILESCC1CCCC/C(N(C)N)=C(/N)C1(F)F
InChIInChI=1S/C10H19F2N3/c1-7-5-3-4-6-8(15(2)14)9(13)10(7,11)12/h7H,3-6,13-14H2,1-2H3/b9-8-
InChIKeyDVVVFIQFCGKPSG-HJWRWDBZSA-N
XLogP1.81
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine (CID 170135743) is (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine is CC1CCCC/C(N(C)N)=C(/N)C1(F)F.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine?
The InChIKey is DVVVFIQFCGKPSG-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19F2N3/c1-7-5-3-4-6-8(15(2)14)9(13)10(7,11)12/h7H,3-6,13-14H2,1-2H3/b9-8-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine?
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-7-methylcycloocten-1-amine has a molecular weight of 219.28 g/mol, XLogP of 1.81, 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-7-methylcycloocten-1-amine is sourced from PubChem (CID 170135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).