N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C15H23N3 — CID 62741990

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ncc(CNC2CC3CC2C2CCCC32)[nH]1
InChIInChI=1S/C15H23N3/c1-9-16-7-11(18-9)8-17-15-6-10-5-14(15)13-4-2-3-12(10)13/h7,10,12-15,17H,2-6,8H2,1H3,(H,16,18)
InChIKeyWFUXJPNPKMWHAP-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.63
Rot. Bonds3

About N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 62741990) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID62741990
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCc1ncc(CNC2CC3CC2C2CCCC32)[nH]1
InChIInChI=1S/C15H23N3/c1-9-16-7-11(18-9)8-17-15-6-10-5-14(15)13-4-2-3-12(10)13/h7,10,12-15,17H,2-6,8H2,1H3,(H,16,18)
InChIKeyWFUXJPNPKMWHAP-UHFFFAOYSA-N
XLogP2.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 62741990) is N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Cc1ncc(CNC2CC3CC2C2CCCC32)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is WFUXJPNPKMWHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9-16-7-11(18-9)8-17-15-6-10-5-14(15)13-4-2-3-12(10)13/h7,10,12-15,17H,2-6,8H2,1H3,(H,16,18).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 245.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 62741990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).