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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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).