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

C15H26N4 — CID 65471784

IUPACN-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCn1ccnc1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H26N4/c1-3-19-8-7-16-15(19)11-17-12-9-13-5-4-6-14(10-12)18(13)2/h7-8,12-14,17H,3-6,9-11H2,1-2H3
InChIKeyFFKCEOVCRZDGRW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds4

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

N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471784) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471784
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCn1ccnc1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H26N4/c1-3-19-8-7-16-15(19)11-17-12-9-13-5-4-6-14(10-12)18(13)2/h7-8,12-14,17H,3-6,9-11H2,1-2H3
InChIKeyFFKCEOVCRZDGRW-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471446
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471784) is N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCn1ccnc1CNC1CC2CCCC(C1)N2C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FFKCEOVCRZDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-19-8-7-16-15(19)11-17-12-9-13-5-4-6-14(10-12)18(13)2/h7-8,12-14,17H,3-6,9-11H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).