1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride

C12H25ClN4 — CID 158415985

IUPAC1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(N)CCCC1.CC1(N=[N+]=[N-])CCCC1.Cl
InChIInChI=1S/C6H11N3.C6H13N.ClH/c1-6(8-9-7)4-2-3-5-6;1-6(7)4-2-3-5-6;/h2-5H2,1H3;2-5,7H2,1H3;1H
InChIKeySLLJVYKFEUHWFA-UHFFFAOYSA-N
MW260.81 g/mol
LogP4.33
Rot. Bonds1

About 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride

1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride (PubChem CID 158415985) has the molecular formula C12H25ClN4 and a molecular weight of 260.81 g/mol. Its IUPAC name is 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride
PubChem CID158415985
Molecular FormulaC12H25ClN4
Molecular Weight260.81 g/mol
Exact Mass260.18
IUPAC Name1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride
SMILESCC1(N)CCCC1.CC1(N=[N+]=[N-])CCCC1.Cl
InChIInChI=1S/C6H11N3.C6H13N.ClH/c1-6(8-9-7)4-2-3-5-6;1-6(7)4-2-3-5-6;/h2-5H2,1H3;2-5,7H2,1H3;1H
InChIKeySLLJVYKFEUHWFA-UHFFFAOYSA-N
XLogP4.33
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1-methylcycloundecane
CID 121345387
1-azido-1-methylcyclobutane
CID 126726881
trans-(1R,3S)-1-azido-1,3-dimethylcyclohexane
CID 130763722
1-methylcyclobutan-1-amine;hydrochloride
CID 18332449
carbanide;1-methylcyclohexan-1-amine;vanadium
CID 159436191
3-azido-3-methylcyclobutan-1-amine
CID 150674806
1,3,5-trimethylcyclononane-1,3,5-triamine
CID 163899329
8-bromo-1,8-dimethylcyclotetradecan-1-amine
CID 70892255
1,6-dimethylcyclodecan-1-amine
CID 163518000
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
2-azido-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]
CID 71271431

Frequently Asked Questions

What is the IUPAC name of 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride (CID 158415985) is 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride is CC1(N)CCCC1.CC1(N=[N+]=[N-])CCCC1.Cl.
What is the InChIKey of 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride?
The InChIKey is SLLJVYKFEUHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C6H13N.ClH/c1-6(8-9-7)4-2-3-5-6;1-6(7)4-2-3-5-6;/h2-5H2,1H3;2-5,7H2,1H3;1H.
What are the key properties of 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride?
1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 158415985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).