ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane

C16H36N2O — CID 156867922

IUPACethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.COCCCN1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H24N2O.2C2H6/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2;2*1-2/h3-11H2,1-2H3;2*1-2H3
InChIKeyRLHOSTCOEZKDHF-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.10
Rot. Bonds4

About ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane

ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 156867922) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID156867922
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Nameethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.COCCCN1CCC2(CC1)CN(C)C2
InChIInChI=1S/C12H24N2O.2C2H6/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2;2*1-2/h3-11H2,1-2H3;2*1-2H3
InChIKeyRLHOSTCOEZKDHF-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2,2-Dimethylpropyl)-2-oxa-7-azaspiro[3.5]nonane
CID 58266309
7-Ethyl-2-oxa-7-azaspiro[3.5]nonane
CID 70371684
7-(3-Methoxypropyl)-2,7-diazaspiro[3.5]nonane
CID 84115770
4-Ethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 118219368
4-Ethyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 118492181
4-Ethyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
CID 118492184
4,4-Dimethyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 122667567
4,4-Dimethyl-1-(oxetan-3-ylmethyl)piperidine
CID 122667575
1-[4-(methoxymethyl)-1-methylpiperidin-4-yl]-N,N-dimethylmethanamine
CID 122692314
4-Tert-butyl-4-methyl-1-[(3-methyloxetan-3-yl)methyl]piperidine
CID 126501657
4-Tert-butyl-4-methyl-1-(oxetan-3-ylmethyl)piperidine
CID 126501659
1-(3-Methoxypropyl)-4,4-dimethylpiperidine
CID 126539816

Frequently Asked Questions

What is the IUPAC name of ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane (CID 156867922) is ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane is CC.CC.COCCCN1CCC2(CC1)CN(C)C2.
What is the InChIKey of ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is RLHOSTCOEZKDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C2H6/c1-13-10-12(11-13)4-7-14(8-5-12)6-3-9-15-2;2*1-2/h3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane?
ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 272.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(3-methoxypropyl)-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 156867922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).