9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H26N4 — CID 65471446

IUPAC9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1nccn1CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H26N4/c1-12-16-6-8-19(12)9-7-17-13-10-14-4-3-5-15(11-13)18(14)2/h6,8,13-15,17H,3-5,7,9-11H2,1-2H3
InChIKeyZQRCAIUETROCCR-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.80
Rot. Bonds4

About 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471446) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471446
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1nccn1CCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H26N4/c1-12-16-6-8-19(12)9-7-17-13-10-14-4-3-5-15(11-13)18(14)2/h6,8,13-15,17H,3-5,7,9-11H2,1-2H3
InChIKeyZQRCAIUETROCCR-UHFFFAOYSA-N
XLogP1.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 79871377
9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 106574280
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61493403
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
N-[4-(2-methylimidazol-1-yl)butyl]thiolan-3-amine
CID 115723460
9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107914691
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471446) is 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1nccn1CCNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ZQRCAIUETROCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-16-6-8-19(12)9-7-17-13-10-14-4-3-5-15(11-13)18(14)2/h6,8,13-15,17H,3-5,7,9-11H2,1-2H3.
What are the key properties of 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).