(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine

C14H27F2N3 — CID 139481219

IUPAC(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine
SMILESCC(C)C1CC/C(N(N)C(C)C)=C(/N)C(F)(F)CC1
InChIInChI=1S/C14H27F2N3/c1-9(2)11-5-6-12(19(18)10(3)4)13(17)14(15,16)8-7-11/h9-11H,5-8,17-18H2,1-4H3/b13-12-
InChIKeyWMLPSYSRYBRKPC-SEYXRHQNSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds3

About (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine

(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine (PubChem CID 139481219) has the molecular formula C14H27F2N3 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine
PubChem CID139481219
Molecular FormulaC14H27F2N3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine
SMILESCC(C)C1CC/C(N(N)C(C)C)=C(/N)C(F)(F)CC1
InChIInChI=1S/C14H27F2N3/c1-9(2)11-5-6-12(19(18)10(3)4)13(17)14(15,16)8-7-11/h9-11H,5-8,17-18H2,1-4H3/b13-12-
InChIKeyWMLPSYSRYBRKPC-SEYXRHQNSA-N
XLogP3.22
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine?
The IUPAC name of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine (CID 139481219) is (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine.
What is the SMILES notation for (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine?
The canonical SMILES for (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine is CC(C)C1CC/C(N(N)C(C)C)=C(/N)C(F)(F)CC1.
What is the InChIKey of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine?
The InChIKey is WMLPSYSRYBRKPC-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H27F2N3/c1-9(2)11-5-6-12(19(18)10(3)4)13(17)14(15,16)8-7-11/h9-11H,5-8,17-18H2,1-4H3/b13-12-.
What are the key properties of (1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine?
(1Z)-2-[amino(propan-2-yl)amino]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.22, 3 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]-8,8-difluoro-5-propan-2-ylcycloocten-1-amine is sourced from PubChem (CID 139481219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).