N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine

C20H35N3 — CID 123668089

IUPACN-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine
SMILESCCc1[nH]c(CNC23CCCC(CC(C)C2)C3)nc1C(C)CC
InChIInChI=1S/C20H35N3/c1-5-15(4)19-17(6-2)22-18(23-19)13-21-20-9-7-8-16(12-20)10-14(3)11-20/h14-16,21H,5-13H2,1-4H3,(H,22,23)
InChIKeySDJBICHWEOJMDG-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.93
Rot. Bonds6

About N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine

N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine (PubChem CID 123668089) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound NameN-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine
PubChem CID123668089
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC NameN-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine
SMILESCCc1[nH]c(CNC23CCCC(CC(C)C2)C3)nc1C(C)CC
InChIInChI=1S/C20H35N3/c1-5-15(4)19-17(6-2)22-18(23-19)13-21-20-9-7-8-16(12-20)10-14(3)11-20/h14-16,21H,5-13H2,1-4H3,(H,22,23)
InChIKeySDJBICHWEOJMDG-UHFFFAOYSA-N
XLogP4.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine?
The IUPAC name of N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine (CID 123668089) is N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine is CCc1[nH]c(CNC23CCCC(CC(C)C2)C3)nc1C(C)CC.
What is the InChIKey of N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine?
The InChIKey is SDJBICHWEOJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3/c1-5-15(4)19-17(6-2)22-18(23-19)13-21-20-9-7-8-16(12-20)10-14(3)11-20/h14-16,21H,5-13H2,1-4H3,(H,22,23).
What are the key properties of N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine?
N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine has a molecular weight of 317.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yl-5-ethyl-1H-imidazol-2-yl)methyl]-3-methylbicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 123668089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).