(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane

C11H19N3 — CID 134939726

IUPAC(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane
SMILESC=C1C[C@H](C)CCC1C(C)(C)N=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-8-5-6-10(9(2)7-8)11(3,4)13-14-12/h8,10H,2,5-7H2,1,3-4H3/t8-,10?/m1/s1
InChIKeyGUGSPQCTOAWMDZ-HNHGDDPOSA-N
MW193.29 g/mol
LogP4.07
Rot. Bonds2

About (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane

(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane (PubChem CID 134939726) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane
PubChem CID134939726
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane
SMILESC=C1C[C@H](C)CCC1C(C)(C)N=[N+]=[N-]
InChIInChI=1S/C11H19N3/c1-8-5-6-10(9(2)7-8)11(3,4)13-14-12/h8,10H,2,5-7H2,1,3-4H3/t8-,10?/m1/s1
InChIKeyGUGSPQCTOAWMDZ-HNHGDDPOSA-N
XLogP4.07
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 54.07
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-azidopropan-2-yl)-1-methylcyclohexene
CID 135030611
4-(2-Azido-6-methylhept-5-en-2-yl)-1-methylcyclohexene
CID 134860258
4-(2-Azidopropan-2-yl)-1-methylcyclohex-1-ene
CID 13682007
(4R)-4-(2-azidopropan-2-yl)-1-methylcyclohexene
CID 11830023
(4S,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 126712981
4-Methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 126713060
(4R,7R)-4-methyl-7-prop-1-en-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 135334684
(1S,2S,4S)-2-azido-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 130848841
1-(2-Methylprop-2-en-1-yl)-4-(propan-2-yl)cyclohexan-1-amine
CID 164659902

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane?
The IUPAC name of (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane (CID 134939726) is (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane.
What is the SMILES notation for (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane?
The canonical SMILES for (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane is C=C1C[C@H](C)CCC1C(C)(C)N=[N+]=[N-].
What is the InChIKey of (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane?
The InChIKey is GUGSPQCTOAWMDZ-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-6-10(9(2)7-8)11(3,4)13-14-12/h8,10H,2,5-7H2,1,3-4H3/t8-,10?/m1/s1.
What are the key properties of (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane?
(4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane has a molecular weight of 193.29 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-azidopropan-2-yl)-4-methyl-2-methylidenecyclohexane is sourced from PubChem (CID 134939726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).