4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine

C11H21FN2 — CID 170067909

IUPAC4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(NC2CC(F)C2)CC1
InChIInChI=1S/C11H21FN2/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h8-11,13-14H,2-7H2,1H3
InChIKeyJBFVHANPDBCNMQ-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.61
Rot. Bonds3

About 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine

4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 170067909) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID170067909
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(NC2CC(F)C2)CC1
InChIInChI=1S/C11H21FN2/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h8-11,13-14H,2-7H2,1H3
InChIKeyJBFVHANPDBCNMQ-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
N-(3-fluorocyclobutyl)oxan-4-amine;hydrochloride
CID 171397069
N,4-dimethylcyclohexan-1-amine;hydrochloride
CID 18472520
1-N-methyl-4-N-(1-sulfanylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 123542772
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-(3-fluorocyclopentyl)thiolan-3-amine
CID 130614619
1-(3-fluorocyclobutyl)-N-methylmethanamine
CID 105430010
N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine (CID 170067909) is 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(NC2CC(F)C2)CC1.
What is the InChIKey of 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is JBFVHANPDBCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-13-9-2-4-10(5-3-9)14-11-6-8(12)7-11/h8-11,13-14H,2-7H2,1H3.
What are the key properties of 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 200.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 170067909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).