1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine

C18H27N3 — CID 60854635

IUPAC1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)CCCC1
InChIInChI=1S/C18H27N3/c19-18(3-1-2-4-18)16-20-11-15(21-16)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,1-10,19H2,(H,20,21)
InChIKeyRLCIZZUYHAZDKC-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.61
Rot. Bonds2

About 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine

1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine (PubChem CID 60854635) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine
PubChem CID60854635
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine
SMILESNC1(c2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)CCCC1
InChIInChI=1S/C18H27N3/c19-18(3-1-2-4-18)16-20-11-15(21-16)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,1-10,19H2,(H,20,21)
InChIKeyRLCIZZUYHAZDKC-UHFFFAOYSA-N
XLogP3.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine (CID 60854635) is 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine is NC1(c2ncc(C34CC5CC(CC(C5)C3)C4)[nH]2)CCCC1.
What is the InChIKey of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
The InChIKey is RLCIZZUYHAZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c19-18(3-1-2-4-18)16-20-11-15(21-16)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,1-10,19H2,(H,20,21).
What are the key properties of 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine?
1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-adamantyl)-1H-imidazol-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 60854635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).