N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride

C12H26FN — CID 23299105

IUPACN,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
SMILESCCN(CC)C1CCCC(C)CC1.F
InChIInChI=1S/C12H25N.FH/c1-4-13(5-2)12-8-6-7-11(3)9-10-12;/h11-12H,4-10H2,1-3H3;1H
InChIKeyLFEQMKPXFMXVIQ-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.45
Rot. Bonds3

About N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride

N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride (PubChem CID 23299105) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride.

Molecular Properties

Compound NameN,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
PubChem CID23299105
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
SMILESCCN(CC)C1CCCC(C)CC1.F
InChIInChI=1S/C12H25N.FH/c1-4-13(5-2)12-8-6-7-11(3)9-10-12;/h11-12H,4-10H2,1-3H3;1H
InChIKeyLFEQMKPXFMXVIQ-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride?
The IUPAC name of N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride (CID 23299105) is N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride.
What is the SMILES notation for N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride?
The canonical SMILES for N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride is CCN(CC)C1CCCC(C)CC1.F.
What is the InChIKey of N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride?
The InChIKey is LFEQMKPXFMXVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.FH/c1-4-13(5-2)12-8-6-7-11(3)9-10-12;/h11-12H,4-10H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride?
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride has a molecular weight of 203.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride is sourced from PubChem (CID 23299105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).