4-azido-N-butylbutan-1-amine;hydrochloride

C8H19ClN4 — CID 25112450

IUPAC4-azido-N-butylbutan-1-amine;hydrochloride
SMILESCCCCNCCCCN=[N+]=[N-].Cl
InChIInChI=1S/C8H18N4.ClH/c1-2-3-6-10-7-4-5-8-11-12-9;/h10H,2-8H2,1H3;1H
InChIKeyLKUWUJGTMXTAFE-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.89
Rot. Bonds8

About 4-azido-N-butylbutan-1-amine;hydrochloride

4-azido-N-butylbutan-1-amine;hydrochloride (PubChem CID 25112450) has the molecular formula C8H19ClN4 and a molecular weight of 206.72 g/mol. Its IUPAC name is 4-azido-N-butylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-azido-N-butylbutan-1-amine;hydrochloride
PubChem CID25112450
Molecular FormulaC8H19ClN4
Molecular Weight206.72 g/mol
Exact Mass206.13
IUPAC Name4-azido-N-butylbutan-1-amine;hydrochloride
SMILESCCCCNCCCCN=[N+]=[N-].Cl
InChIInChI=1S/C8H18N4.ClH/c1-2-3-6-10-7-4-5-8-11-12-9;/h10H,2-8H2,1H3;1H
InChIKeyLKUWUJGTMXTAFE-UHFFFAOYSA-N
XLogP2.89
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.89
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

6-azido-N-ethylhexan-1-amine
CID 152547134
1-azidooctane;hydrochloride
CID 175871639
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
1-azidobutane
CID 4563922
N-butylbutan-1-amine;hydrochloride
CID 3083954
8-azido-N-methyloctan-1-amine
CID 151243367
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-(4-azidobutyl)hexanamide
CID 106386708
N-(4-azidobutyl)heptanamide
CID 106386394
N-butyltetradecan-1-amine
CID 3548872
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-butylbutan-1-amine;hydrochloride?
The IUPAC name of 4-azido-N-butylbutan-1-amine;hydrochloride (CID 25112450) is 4-azido-N-butylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-azido-N-butylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-azido-N-butylbutan-1-amine;hydrochloride is CCCCNCCCCN=[N+]=[N-].Cl.
What is the InChIKey of 4-azido-N-butylbutan-1-amine;hydrochloride?
The InChIKey is LKUWUJGTMXTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4.ClH/c1-2-3-6-10-7-4-5-8-11-12-9;/h10H,2-8H2,1H3;1H.
What are the key properties of 4-azido-N-butylbutan-1-amine;hydrochloride?
4-azido-N-butylbutan-1-amine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-butylbutan-1-amine;hydrochloride is sourced from PubChem (CID 25112450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).