N-(cycloheptylideneamino)-2,2-difluoroethanamine

C9H16F2N2 — CID 130649638

IUPACN-(cycloheptylideneamino)-2,2-difluoroethanamine
SMILESFC(F)CNN=C1CCCCCC1
InChIInChI=1S/C9H16F2N2/c10-9(11)7-12-13-8-5-3-1-2-4-6-8/h9,12H,1-7H2
InChIKeyVRTUWWOJDKRXBK-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.55
Rot. Bonds3

About N-(cycloheptylideneamino)-2,2-difluoroethanamine

N-(cycloheptylideneamino)-2,2-difluoroethanamine (PubChem CID 130649638) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2,2-difluoroethanamine
PubChem CID130649638
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-(cycloheptylideneamino)-2,2-difluoroethanamine
SMILESFC(F)CNN=C1CCCCCC1
InChIInChI=1S/C9H16F2N2/c10-9(11)7-12-13-8-5-3-1-2-4-6-8/h9,12H,1-7H2
InChIKeyVRTUWWOJDKRXBK-UHFFFAOYSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylideneamino)-2,2-difluoroethanamine
CID 126996512
N-(cycloheptylideneamino)propan-1-amine
CID 131155814

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2,2-difluoroethanamine?
The IUPAC name of N-(cycloheptylideneamino)-2,2-difluoroethanamine (CID 130649638) is N-(cycloheptylideneamino)-2,2-difluoroethanamine.
What is the SMILES notation for N-(cycloheptylideneamino)-2,2-difluoroethanamine?
The canonical SMILES for N-(cycloheptylideneamino)-2,2-difluoroethanamine is FC(F)CNN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-2,2-difluoroethanamine?
The InChIKey is VRTUWWOJDKRXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)7-12-13-8-5-3-1-2-4-6-8/h9,12H,1-7H2.
What are the key properties of N-(cycloheptylideneamino)-2,2-difluoroethanamine?
N-(cycloheptylideneamino)-2,2-difluoroethanamine has a molecular weight of 190.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2,2-difluoroethanamine is sourced from PubChem (CID 130649638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).