9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

C18H30N4 — CID 45175930

IUPAC9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCC2(CCCN(CC3CCC3)C2)C1
InChIInChI=1S/C18H30N4/c1-15-17(20-14-19-15)11-22-9-7-18(13-22)6-3-8-21(12-18)10-16-4-2-5-16/h14,16H,2-13H2,1H3,(H,19,20)
InChIKeySCQBTEBCABXLFN-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.81
Rot. Bonds4

About 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane

9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 45175930) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID45175930
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCc1[nH]cnc1CN1CCC2(CCCN(CC3CCC3)C2)C1
InChIInChI=1S/C18H30N4/c1-15-17(20-14-19-15)11-22-9-7-18(13-22)6-3-8-21(12-18)10-16-4-2-5-16/h14,16H,2-13H2,1H3,(H,19,20)
InChIKeySCQBTEBCABXLFN-UHFFFAOYSA-N
XLogP2.81
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-(1H-imidazol-4-ylmethyl)-4-[1-(1-pyrrolidinyl)ethyl]piperidine
CID 70717894
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 55114498
N-ethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 50956167
N,2,2,6,6-pentamethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 50971526
1-(1-isobutylpyrrolidin-3-yl)-N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 50979891
(3S*,4R*)-N,N-dimethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinamine
CID 70777966
1-[(5-Methyl-1H-imidazol-4-yl)methyl]piperidine
CID 13306720
1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
CID 23084228
5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]-1H-imidazole
CID 23396989
CID 59694563
CID 59694563

Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane (CID 45175930) is 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is Cc1[nH]cnc1CN1CCC2(CCCN(CC3CCC3)C2)C1.
What is the InChIKey of 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is SCQBTEBCABXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-15-17(20-14-19-15)11-22-9-7-18(13-22)6-3-8-21(12-18)10-16-4-2-5-16/h14,16H,2-13H2,1H3,(H,19,20).
What are the key properties of 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane?
9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 302.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45175930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).