(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine

C12H24FN3 — CID 146507775

IUPAC(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
SMILESCC(C)N(N)/C1=C(\N)C(C)(F)CCCCC1
InChIInChI=1S/C12H24FN3/c1-9(2)16(15)10-7-5-4-6-8-12(3,13)11(10)14/h9H,4-8,14-15H2,1-3H3/b11-10-
InChIKeyOTEAKTXMSUBGNQ-KHPPLWFESA-N
MW229.34 g/mol
LogP2.43
Rot. Bonds2

About (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine

(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine (PubChem CID 146507775) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
PubChem CID146507775
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine
SMILESCC(C)N(N)/C1=C(\N)C(C)(F)CCCCC1
InChIInChI=1S/C12H24FN3/c1-9(2)16(15)10-7-5-4-6-8-12(3,13)11(10)14/h9H,4-8,14-15H2,1-3H3/b11-10-
InChIKeyOTEAKTXMSUBGNQ-KHPPLWFESA-N
XLogP2.43
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.43
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(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine (CID 146507775) is (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine is CC(C)N(N)/C1=C(\N)C(C)(F)CCCCC1.
What is the InChIKey of (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine?
The InChIKey is OTEAKTXMSUBGNQ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24FN3/c1-9(2)16(15)10-7-5-4-6-8-12(3,13)11(10)14/h9H,4-8,14-15H2,1-3H3/b11-10-.
What are the key properties of (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine?
(1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(propan-2-yl)amino]-8-fluoro-8-methylcycloocten-1-amine is sourced from PubChem (CID 146507775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).