2-(3-azidopropylamino)-2-methylheptanenitrile

C11H21N5 — CID 80557277

IUPAC2-(3-azidopropylamino)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5/c1-3-4-5-7-11(2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3
InChIKeyFLPICMSOKHIEKX-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.14
Rot. Bonds9

About 2-(3-azidopropylamino)-2-methylheptanenitrile

2-(3-azidopropylamino)-2-methylheptanenitrile (PubChem CID 80557277) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-methylheptanenitrile.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-methylheptanenitrile
PubChem CID80557277
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(3-azidopropylamino)-2-methylheptanenitrile
SMILESCCCCCC(C)(C#N)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5/c1-3-4-5-7-11(2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3
InChIKeyFLPICMSOKHIEKX-UHFFFAOYSA-N
XLogP3.14
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidopropylamino)-2-ethylhexanenitrile
CID 66189690
2-(3-azidopropylamino)-2-methyl-4-phenylbutanenitrile
CID 66190668
2-(3-hydroxypropylamino)-2-methylnonanenitrile
CID 62588050
2-(3-azidopropylamino)-2-methyloctanoic acid
CID 66191282
2-(3-azidopropylamino)-4-(4-methoxyphenyl)-2-methylbutanenitrile
CID 66188502
6-azido-2,2-dimethylhexanenitrile
CID 106713147
2-(3-azidopropylamino)-2-cyclopentylpropanenitrile
CID 66188885
5-azido-2,2-dimethylpentanenitrile
CID 65255997
2-(cyclopropylmethylamino)-2-methylheptanenitrile
CID 80557594
2-(2-azidoethylamino)-2-methyloctanamide
CID 66188674
6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propylamino)hexanenitrile
CID 66128529
1-azidotriacontane
CID 71752669

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-methylheptanenitrile?
The IUPAC name of 2-(3-azidopropylamino)-2-methylheptanenitrile (CID 80557277) is 2-(3-azidopropylamino)-2-methylheptanenitrile.
What is the SMILES notation for 2-(3-azidopropylamino)-2-methylheptanenitrile?
The canonical SMILES for 2-(3-azidopropylamino)-2-methylheptanenitrile is CCCCCC(C)(C#N)NCCCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidopropylamino)-2-methylheptanenitrile?
The InChIKey is FLPICMSOKHIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-4-5-7-11(2,10-12)14-8-6-9-15-16-13/h14H,3-9H2,1-2H3.
What are the key properties of 2-(3-azidopropylamino)-2-methylheptanenitrile?
2-(3-azidopropylamino)-2-methylheptanenitrile has a molecular weight of 223.32 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-methylheptanenitrile is sourced from PubChem (CID 80557277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).