N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine

C15H29N3 — CID 79175318

IUPACN-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
SMILESCNC1CCCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H29N3/c1-16-14-5-3-4-6-15(14)18-10-9-12-7-8-13(11-18)17(12)2/h12-16H,3-11H2,1-2H3
InChIKeyUBVSZGCFRRPDGJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds2

About N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine

N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine (PubChem CID 79175318) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
PubChem CID79175318
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
SMILESCNC1CCCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C15H29N3/c1-16-14-5-3-4-6-15(14)18-10-9-12-7-8-13(11-18)17(12)2/h12-16H,3-11H2,1-2H3
InChIKeyUBVSZGCFRRPDGJ-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
CID 79166371
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
CID 79174757
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
CID 63609321
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
9-methyl-3-(4-methylpiperidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 79174792

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine (CID 79175318) is N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine is CNC1CCCCC1N1CCC2CCC(C1)N2C.
What is the InChIKey of N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine?
The InChIKey is UBVSZGCFRRPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-16-14-5-3-4-6-15(14)18-10-9-12-7-8-13(11-18)17(12)2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine?
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 79175318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).