1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane

C18H30N4 — CID 97451334

IUPAC1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CCCN2CC2CCC2)CC1
InChIInChI=1S/C18H30N4/c1-20-13-9-19-17(20)15-21-11-7-18(8-12-21)6-3-10-22(18)14-16-4-2-5-16/h9,13,16H,2-8,10-12,14-15H2,1H3
InChIKeyYMWMTDYHKJMUDY-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.65
Rot. Bonds4

About 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane

1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97451334) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97451334
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CCCN2CC2CCC2)CC1
InChIInChI=1S/C18H30N4/c1-20-13-9-19-17(20)15-21-11-7-18(8-12-21)6-3-10-22(18)14-16-4-2-5-16/h9,13,16H,2-8,10-12,14-15H2,1H3
InChIKeyYMWMTDYHKJMUDY-UHFFFAOYSA-N
XLogP2.65
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
2-[3-[(1-methylimidazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 97451310
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
9-[(1-methylimidazol-2-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97385560
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
(3R)-3-fluoro-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine
CID 129488138
(3S)-3-(2-methoxyethyl)-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97394779
1-(1-adamantyl)-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 70755285
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
4-(4-bromophenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
CID 23935984

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97451334) is 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccnc1CN1CCC2(CCCN2CC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is YMWMTDYHKJMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-20-13-9-19-17(20)15-21-11-7-18(8-12-21)6-3-10-22(18)14-16-4-2-5-16/h9,13,16H,2-8,10-12,14-15H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane?
1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 302.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97451334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).