2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane

C11H19IN2 — CID 171845182

IUPAC2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane
SMILESIN1CCCC2(C1)CN(CC1CC1)C2
InChIInChI=1S/C11H19IN2/c12-14-5-1-4-11(9-14)7-13(8-11)6-10-2-3-10/h10H,1-9H2
InChIKeyLGWDYAGUDCPXCY-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.14
Rot. Bonds2

About 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane

2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane (PubChem CID 171845182) has the molecular formula C11H19IN2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane
PubChem CID171845182
Molecular FormulaC11H19IN2
Molecular Weight306.19 g/mol
Exact Mass306.06
IUPAC Name2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane
SMILESIN1CCCC2(C1)CN(CC1CC1)C2
InChIInChI=1S/C11H19IN2/c12-14-5-1-4-11(9-14)7-13(8-11)6-10-2-3-10/h10H,1-9H2
InChIKeyLGWDYAGUDCPXCY-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
6-iodo-6-azaspiro[3.5]nonane
CID 129299267
9-(cyclobutylmethyl)-2-(cyclopentylmethyl)-2,9-diazaspiro[4.5]decane
CID 45249551
9-(cyclopropylmethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845215
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
CID 106131726
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol
CID 175628880
9-(cyclopropylmethyl)-2-[(3,5,6-trimethylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45221415

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane (CID 171845182) is 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane is IN1CCCC2(C1)CN(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane?
The InChIKey is LGWDYAGUDCPXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN2/c12-14-5-1-4-11(9-14)7-13(8-11)6-10-2-3-10/h10H,1-9H2.
What are the key properties of 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane?
2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane has a molecular weight of 306.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-iodo-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 171845182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).