11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane

C15H26N2 — CID 106222076

IUPAC11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane
SMILESC#CCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h1,16H,3-14H2
InChIKeyNHUVLHBUBGYAEZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.40
Rot. Bonds3

About 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane

11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane (PubChem CID 106222076) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane
PubChem CID106222076
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane
SMILESC#CCCCN1CCCNC2(CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h1,16H,3-14H2
InChIKeyNHUVLHBUBGYAEZ-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexylmethyl)-1,4-diazepane
CID 24702363
11-(2-Fluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 80697143
11-(3-Fluoropropyl)-7,11-diazaspiro[5.6]dodecane
CID 81113477
N-tert-butyl-4-ethynyl-1-methylazepan-4-amine
CID 21306404
7,11-Diazaspiro[5.6]dodecane
CID 64884478
[1-(Azepan-1-ium-1-yl)cyclohexyl]methylazanium
CID 9161373
(1-Azepan-1-ylcyclohexyl)methylamine
CID 9161374
1-(Azepan-1-ylmethyl)cyclohexan-1-amine
CID 28597451
[1-(4-Methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 28745300
1-[(4-Methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
7-Methyl-7,11-diazaspiro[5.6]dodecane
CID 54775502
N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine
CID 60692486

Frequently Asked Questions

What is the IUPAC name of 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane (CID 106222076) is 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane is C#CCCCN1CCCNC2(CCCCC2)C1.
What is the InChIKey of 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane?
The InChIKey is NHUVLHBUBGYAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-3-7-12-17-13-8-11-16-15(14-17)9-5-4-6-10-15/h1,16H,3-14H2.
What are the key properties of 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane?
11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane has a molecular weight of 234.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pent-4-ynyl-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 106222076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).