2-cyclononyldiazonan-1-amine

C16H33N3 — CID 70059451

IUPAC2-cyclononyldiazonan-1-amine
SMILESNN1CCCCCCCN1C1CCCCCCCC1
InChIInChI=1S/C16H33N3/c17-19-15-11-7-3-6-10-14-18(19)16-12-8-4-1-2-5-9-13-16/h16H,1-15,17H2
InChIKeyXOBKLVGAACZSNZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds1

About 2-cyclononyldiazonan-1-amine

2-cyclononyldiazonan-1-amine (PubChem CID 70059451) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-cyclononyldiazonan-1-amine.

Molecular Properties

Compound Name2-cyclononyldiazonan-1-amine
PubChem CID70059451
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-cyclononyldiazonan-1-amine
SMILESNN1CCCCCCCN1C1CCCCCCCC1
InChIInChI=1S/C16H33N3/c17-19-15-11-7-3-6-10-14-18(19)16-12-8-4-1-2-5-9-13-16/h16H,1-15,17H2
InChIKeyXOBKLVGAACZSNZ-UHFFFAOYSA-N
XLogP3.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
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1-cyclohexylpiperidine;methane
CID 143122486
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-fluoropiperidin-1-amine
CID 141108449
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
7-(1,6-diazabicyclo[4.1.0]heptan-7-yl)-1,6-diazabicyclo[4.1.0]heptane
CID 686652
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
1-cyclopropylpiperidine
CID 10909573
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747

Frequently Asked Questions

What is the IUPAC name of 2-cyclononyldiazonan-1-amine?
The IUPAC name of 2-cyclononyldiazonan-1-amine (CID 70059451) is 2-cyclononyldiazonan-1-amine.
What is the SMILES notation for 2-cyclononyldiazonan-1-amine?
The canonical SMILES for 2-cyclononyldiazonan-1-amine is NN1CCCCCCCN1C1CCCCCCCC1.
What is the InChIKey of 2-cyclononyldiazonan-1-amine?
The InChIKey is XOBKLVGAACZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c17-19-15-11-7-3-6-10-14-18(19)16-12-8-4-1-2-5-9-13-16/h16H,1-15,17H2.
What are the key properties of 2-cyclononyldiazonan-1-amine?
2-cyclononyldiazonan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyldiazonan-1-amine is sourced from PubChem (CID 70059451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).