N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine

C19H29N3 — CID 123767056

IUPACN-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine
SMILESC/C=C\c1nc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC
InChIInChI=1S/C19H29N3/c1-3-5-17-16(4-2)21-18(22-17)12-20-19-9-13-6-14(10-19)8-15(7-13)11-19/h3,5,13-15,20H,4,6-12H2,1-2H3,(H,21,22)/b5-3-
InChIKeyVJPASGOSOAIYBY-HYXAFXHYSA-N
MW299.46 g/mol
LogP4.06
Rot. Bonds5

About N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine

N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine (PubChem CID 123767056) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine
PubChem CID123767056
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine
SMILESC/C=C\c1nc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC
InChIInChI=1S/C19H29N3/c1-3-5-17-16(4-2)21-18(22-17)12-20-19-9-13-6-14(10-19)8-15(7-13)11-19/h3,5,13-15,20H,4,6-12H2,1-2H3,(H,21,22)/b5-3-
InChIKeyVJPASGOSOAIYBY-HYXAFXHYSA-N
XLogP4.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine (CID 123767056) is N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine is C/C=C\c1nc(CNC23CC4CC(CC(C4)C2)C3)[nH]c1CC.
What is the InChIKey of N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine?
The InChIKey is VJPASGOSOAIYBY-HYXAFXHYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-5-17-16(4-2)21-18(22-17)12-20-19-9-13-6-14(10-19)8-15(7-13)11-19/h3,5,13-15,20H,4,6-12H2,1-2H3,(H,21,22)/b5-3-.
What are the key properties of N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine?
N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 123767056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).