6-azido-N-ethylhexan-1-amine

C8H18N4 — CID 152547134

IUPAC6-azido-N-ethylhexan-1-amine
SMILESCCNCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H18N4/c1-2-10-7-5-3-4-6-8-11-12-9/h10H,2-8H2,1H3
InChIKeyYMSIPJVVHPDDSI-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.47
Rot. Bonds8

About 6-azido-N-ethylhexan-1-amine

6-azido-N-ethylhexan-1-amine (PubChem CID 152547134) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-azido-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-azido-N-ethylhexan-1-amine
PubChem CID152547134
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name6-azido-N-ethylhexan-1-amine
SMILESCCNCCCCCCN=[N+]=[N-]
InChIInChI=1S/C8H18N4/c1-2-10-7-5-3-4-6-8-11-12-9/h10H,2-8H2,1H3
InChIKeyYMSIPJVVHPDDSI-UHFFFAOYSA-N
XLogP2.47
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.47
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

4-azido-N-butylbutan-1-amine;hydrochloride
CID 25112450
8-azido-N-methyloctan-1-amine
CID 151243367
N,N'-diethylpentane-1,5-diamine
CID 15013244
1,14-diazidotetradecane
CID 146463967
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
1-azidooctane;hydrochloride
CID 175871639
4-azido-N-(ethylsulfamoyl)butan-1-amine
CID 106387131
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-ethylhexan-1-amine?
The IUPAC name of 6-azido-N-ethylhexan-1-amine (CID 152547134) is 6-azido-N-ethylhexan-1-amine.
What is the SMILES notation for 6-azido-N-ethylhexan-1-amine?
The canonical SMILES for 6-azido-N-ethylhexan-1-amine is CCNCCCCCCN=[N+]=[N-].
What is the InChIKey of 6-azido-N-ethylhexan-1-amine?
The InChIKey is YMSIPJVVHPDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-10-7-5-3-4-6-8-11-12-9/h10H,2-8H2,1H3.
What are the key properties of 6-azido-N-ethylhexan-1-amine?
6-azido-N-ethylhexan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-ethylhexan-1-amine is sourced from PubChem (CID 152547134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).