1-azido-2,2,3,3-tetramethylpentane

C9H19N3 — CID 122490389

IUPAC1-azido-2,2,3,3-tetramethylpentane
SMILESCCC(C)(C)C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-6-8(2,3)9(4,5)7-11-12-10/h6-7H2,1-5H3
InChIKeyKLAKSODTTNGOQW-UHFFFAOYSA-N
MW169.27 g/mol
LogP3.76
Rot. Bonds4

About 1-azido-2,2,3,3-tetramethylpentane

1-azido-2,2,3,3-tetramethylpentane (PubChem CID 122490389) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-azido-2,2,3,3-tetramethylpentane.

Molecular Properties

Compound Name1-azido-2,2,3,3-tetramethylpentane
PubChem CID122490389
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-azido-2,2,3,3-tetramethylpentane
SMILESCCC(C)(C)C(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C9H19N3/c1-6-8(2,3)9(4,5)7-11-12-10/h6-7H2,1-5H3
InChIKeyKLAKSODTTNGOQW-UHFFFAOYSA-N
XLogP3.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

1-Azido-4,4,5,5-tetramethylhexane
CID 20706505
1-Azido-2,2,4,4-tetramethylpentane
CID 20715414
1-Azido-4,4-dimethylpentane
CID 58227659
(3R,4R)-4-(azidomethyl)-2,3-dimethylhexane
CID 59098302
(3S,4S)-1-azido-2,3,4-trimethylhexane
CID 59105118
(3S,4R)-1-azido-2,3,4-trimethylhexane
CID 59105119
1-Azido-5,5-dimethylhexane
CID 59832573
3-(Azidomethyl)-3-ethylpentane
CID 60103485
3-[(Aminodiazenyl)methyl]-2,2,4-trimethylhexane
CID 88579454
1-Azido-2,2,4-trimethylpentane
CID 89425532
1,5-Diazido-2,2,4,4-tetramethylpentane
CID 90051499
Bis(2,3-dimethylpentyl)diazene
CID 91489079

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,2,3,3-tetramethylpentane?
The IUPAC name of 1-azido-2,2,3,3-tetramethylpentane (CID 122490389) is 1-azido-2,2,3,3-tetramethylpentane.
What is the SMILES notation for 1-azido-2,2,3,3-tetramethylpentane?
The canonical SMILES for 1-azido-2,2,3,3-tetramethylpentane is CCC(C)(C)C(C)(C)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2,2,3,3-tetramethylpentane?
The InChIKey is KLAKSODTTNGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-8(2,3)9(4,5)7-11-12-10/h6-7H2,1-5H3.
What are the key properties of 1-azido-2,2,3,3-tetramethylpentane?
1-azido-2,2,3,3-tetramethylpentane has a molecular weight of 169.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,2,3,3-tetramethylpentane is sourced from PubChem (CID 122490389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).