7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane

C17H28N2 — CID 155218528

IUPAC7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane
SMILESCC#CC1CCC(N2CC3(CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H28N2/c1-3-4-15-5-7-16(8-6-15)19-13-17(14-19)9-11-18(2)12-10-17/h15-16H,5-14H2,1-2H3
InChIKeyVJMIJWCSIZKVHF-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.60
Rot. Bonds1

About 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane

7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 155218528) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane
PubChem CID155218528
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane
SMILESCC#CC1CCC(N2CC3(CCN(C)CC3)C2)CC1
InChIInChI=1S/C17H28N2/c1-3-4-15-5-7-16(8-6-15)19-13-17(14-19)9-11-18(2)12-10-17/h15-16H,5-14H2,1-2H3
InChIKeyVJMIJWCSIZKVHF-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-prop-1-ynylcyclohexyl)piperazine
CID 155218445
7-methyl-2-prop-1-ynyl-7-azaspiro[3.5]nonane
CID 177319171
2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
CID 168769171
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
CID 166489027
N-methyl-1-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)piperidin-1-yl]methanamine
CID 171641356
ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171786053
ethane;1-methyl-4-[2-(4-prop-1-ynylpiperidin-1-yl)ethyl]piperazine
CID 155583745
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
CID 170371772
2-cyclopropyl-7-ethyl-2,7-diazaspiro[4.4]nonane
CID 145006598
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane (CID 155218528) is 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane is CC#CC1CCC(N2CC3(CCN(C)CC3)C2)CC1.
What is the InChIKey of 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is VJMIJWCSIZKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-15-5-7-16(8-6-15)19-13-17(14-19)9-11-18(2)12-10-17/h15-16H,5-14H2,1-2H3.
What are the key properties of 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane?
7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 260.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155218528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).