8-azido-N-methyloctan-1-amine

C9H20N4 — CID 151243367

IUPAC8-azido-N-methyloctan-1-amine
SMILESCNCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H20N4/c1-11-8-6-4-2-3-5-7-9-12-13-10/h11H,2-9H2,1H3
InChIKeyNQUAKMJUTGJTFV-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.86
Rot. Bonds9

About 8-azido-N-methyloctan-1-amine

8-azido-N-methyloctan-1-amine (PubChem CID 151243367) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 8-azido-N-methyloctan-1-amine.

Molecular Properties

Compound Name8-azido-N-methyloctan-1-amine
PubChem CID151243367
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name8-azido-N-methyloctan-1-amine
SMILESCNCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C9H20N4/c1-11-8-6-4-2-3-5-7-9-12-13-10/h11H,2-9H2,1H3
InChIKeyNQUAKMJUTGJTFV-UHFFFAOYSA-N
XLogP2.86
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-azido-N-methylpropan-1-amine;hydrochloride
CID 86672808
1,14-diazidotetradecane
CID 146463967
6-azido-N-ethylhexan-1-amine
CID 152547134
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
4-azido-N-butylbutan-1-amine;hydrochloride
CID 25112450
1-azidooctane;hydrochloride
CID 175871639
N-methyl-7-nitrosoheptan-1-amine
CID 143959135
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
6-azido-N-methylhexanamide
CID 130188396
9-azidononane-1-thiol
CID 89455155
9-azidononan-1-amine
CID 122424851

Frequently Asked Questions

What is the IUPAC name of 8-azido-N-methyloctan-1-amine?
The IUPAC name of 8-azido-N-methyloctan-1-amine (CID 151243367) is 8-azido-N-methyloctan-1-amine.
What is the SMILES notation for 8-azido-N-methyloctan-1-amine?
The canonical SMILES for 8-azido-N-methyloctan-1-amine is CNCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 8-azido-N-methyloctan-1-amine?
The InChIKey is NQUAKMJUTGJTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-8-6-4-2-3-5-7-9-12-13-10/h11H,2-9H2,1H3.
What are the key properties of 8-azido-N-methyloctan-1-amine?
8-azido-N-methyloctan-1-amine has a molecular weight of 184.29 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-N-methyloctan-1-amine is sourced from PubChem (CID 151243367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).