2-(3-azidopropylamino)nonanenitrile

C12H23N5 — CID 66190474

IUPAC2-(3-azidopropylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NCCCN=[N+]=[N-]
InChIInChI=1S/C12H23N5/c1-2-3-4-5-6-8-12(11-13)15-9-7-10-16-17-14/h12,15H,2-10H2,1H3
InChIKeyLBWDNMFWOPTVDR-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.53
Rot. Bonds11

About 2-(3-azidopropylamino)nonanenitrile

2-(3-azidopropylamino)nonanenitrile (PubChem CID 66190474) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-azidopropylamino)nonanenitrile.

Molecular Properties

Compound Name2-(3-azidopropylamino)nonanenitrile
PubChem CID66190474
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-(3-azidopropylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NCCCN=[N+]=[N-]
InChIInChI=1S/C12H23N5/c1-2-3-4-5-6-8-12(11-13)15-9-7-10-16-17-14/h12,15H,2-10H2,1H3
InChIKeyLBWDNMFWOPTVDR-UHFFFAOYSA-N
XLogP3.53
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.53
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-(2-hydroxyethylamino)nonanenitrile
CID 62587141
2-(2-methoxyethylamino)octanenitrile
CID 62540992
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
1-azidooctane;hydrochloride
CID 175871639
2-(3-azidopropylamino)-3-methylbut-3-enenitrile
CID 114784427
2-(2-azidoethylamino)octanoic acid
CID 66190006
2-(3-azidopropylamino)-2-methylheptanenitrile
CID 80557277
1-azidobutane
CID 4563922
2-(cyclopropylmethylamino)heptanenitrile
CID 60996351
2-(3-azidopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 66190070
2-(3-azidopropylamino)-2-(2-methylphenyl)acetonitrile
CID 66189672

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)nonanenitrile?
The IUPAC name of 2-(3-azidopropylamino)nonanenitrile (CID 66190474) is 2-(3-azidopropylamino)nonanenitrile.
What is the SMILES notation for 2-(3-azidopropylamino)nonanenitrile?
The canonical SMILES for 2-(3-azidopropylamino)nonanenitrile is CCCCCCCC(C#N)NCCCN=[N+]=[N-].
What is the InChIKey of 2-(3-azidopropylamino)nonanenitrile?
The InChIKey is LBWDNMFWOPTVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-2-3-4-5-6-8-12(11-13)15-9-7-10-16-17-14/h12,15H,2-10H2,1H3.
What are the key properties of 2-(3-azidopropylamino)nonanenitrile?
2-(3-azidopropylamino)nonanenitrile has a molecular weight of 237.35 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)nonanenitrile is sourced from PubChem (CID 66190474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).