N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C15H25N3O2 — CID 70716413

IUPACN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1cnc(CCNC2CCOC3(CCOCC3)C2)[nH]1
InChIInChI=1S/C15H25N3O2/c1-12-11-17-14(18-12)2-6-16-13-3-7-20-15(10-13)4-8-19-9-5-15/h11,13,16H,2-10H2,1H3,(H,17,18)
InChIKeyNSQJEPKZJOVUFU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine

N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 70716413) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID70716413
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESCc1cnc(CCNC2CCOC3(CCOCC3)C2)[nH]1
InChIInChI=1S/C15H25N3O2/c1-12-11-17-14(18-12)2-6-16-13-3-7-20-15(10-13)4-8-19-9-5-15/h11,13,16H,2-10H2,1H3,(H,17,18)
InChIKeyNSQJEPKZJOVUFU-UHFFFAOYSA-N
XLogP1.58
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 70716413) is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine is Cc1cnc(CCNC2CCOC3(CCOCC3)C2)[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is NSQJEPKZJOVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-11-17-14(18-12)2-6-16-13-3-7-20-15(10-13)4-8-19-9-5-15/h11,13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 70716413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).