4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine

C14H27N3 — CID 105365598

IUPAC4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-16(13-4-2-12(15)3-5-13)14-7-9-17-8-6-11(14)10-17/h11-14H,2-10,15H2,1H3
InChIKeySZBHGFJMLRJLTN-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.28
Rot. Bonds2

About 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 105365598) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID105365598
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-16(13-4-2-12(15)3-5-13)14-7-9-17-8-6-11(14)10-17/h11-14H,2-10,15H2,1H3
InChIKeySZBHGFJMLRJLTN-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105365541
N-[1-(4-aminophenyl)piperidin-4-yl]-N-methyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 170045696
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
N-[1-(4-aminophenyl)piperidin-4-yl]-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 176615753
4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121604
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579
4-N-methyl-4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 104973837

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine (CID 105365598) is 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1CCN2CCC1C2.
What is the InChIKey of 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is SZBHGFJMLRJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16(13-4-2-12(15)3-5-13)14-7-9-17-8-6-11(14)10-17/h11-14H,2-10,15H2,1H3.
What are the key properties of 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 105365598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).