(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine

C16H30N2 — CID 112680985

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2/c1-11-4-3-5-12(8-11)16(17)13-9-14-6-7-15(10-13)18(14)2/h11-16H,3-10,17H2,1-2H3
InChIKeyJJDSPEROTWIEED-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.01
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine (PubChem CID 112680985) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine
PubChem CID112680985
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(C(N)C2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2/c1-11-4-3-5-12(8-11)16(17)13-9-14-6-7-15(10-13)18(14)2/h11-16H,3-10,17H2,1-2H3
InChIKeyJJDSPEROTWIEED-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine (CID 112680985) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine is CC1CCCC(C(N)C2CC3CCC(C2)N3C)C1.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine?
The InChIKey is JJDSPEROTWIEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-11-4-3-5-12(8-11)16(17)13-9-14-6-7-15(10-13)18(14)2/h11-16H,3-10,17H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 112680985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).